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Two quantum algorithms for solving the one-dimensional advection–diffusion equation 求解一维平流扩散方程的两种量子算法
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-18 DOI: 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 N=64 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.

本文提出了两种量子算法,用于对具有周期性边界条件的线性一维平流-扩散方程进行数值求解。它们的精度和性能随着量子比特数的增加而逐点比较。具体来说,我们使用基于哈罗-哈西丁-劳埃德方法的量子线性系统算法(QLSA)和变异量子算法(VQA)求解线性偏微分方程,分辨率最多可使用 6 量子位编码,相当于单位区间上 N=64 个网格点。这两种算法在本质上都是混合算法,即它们涉及经典和量子计算构件的组合。QLSA 和 VQA 分别使用内部求解器 QFlowS 和开放式 Qiskit 软件作为理想状态矢量模拟求解。我们讨论了这两种算法的几个方面,它们对两种情况下的成功性能至关重要。这些方面包括 QLSA 的量子相位估计和 VQA 的成本函数最小化算法的选择。后一种算法也是在包含测量噪声的 Qiskit 框架中实现的。我们对目前的局限性进行了反思,并提出了未来在量子计算机上对经典流体流动进行数值模拟的一些可能研究路线。
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引用次数: 0
Efficient parallel solver for rarefied gas flow using GSIS 利用 GSIS 实现稀薄气体流动的高效并行求解器
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-18 DOI: 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.

最近,有人提出了通用合成迭代方案(GSIS),用于在整个气体稀释范围内寻找波尔兹曼方程的稳态解,其快速收敛和渐近保留的特性可显著减少近连续流状态下的迭代次数和空间单元。然而,GSIS 的效率和准确性只在具有少量空间单元和离散速度的二维问题中得到了验证。本文设计了一种大规模并行计算策略,将 GSIS 扩展到三维流动问题,包括通常难以用离散速度法求解的超音速流动。由于 GSIS 涉及在六维相空间中定义的介观动力学方程和在三维物理空间中定义的宏观高温 Navier-Stokes-Fourier 方程的计算,因此空间和速度空间的合理划分以及 CPU 内核在介观和宏观求解器上的分配是提高整体计算效率的关键。对这些因素进行了系统测试,以达到最佳性能,空间和速度网格可达 1000 亿个。对于阿波罗返回舱、X38 类飞行器和空间站周围的高超音速流,我们的并行求解器可在一小时内获得收敛解。
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引用次数: 0
GPU optimized multi-block-multi-mesh immersed boundary method for flows in complex arterial models 针对复杂动脉模型流动的 GPU 优化多区块多网格沉浸边界法
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-15 DOI: 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.

沉浸边界法(IBM)被广泛用于使用结构化网格模拟复杂几何形状中的流动。然而,在模拟通过弯曲管道的内部流动时,这种方法存在缺点。流体域外网格的存在会导致内存浪费和计算开销。在此,我们提出了一种多网格块-多网格框架,利用靠近管体的多个网格块来捕捉复杂的几何形状,从而减少多余的网格。这样做的另一个好处是在不同的网格块中使用不同的非均匀网格间距。网格的减少使单个 GPU 可以处理更大的工作量。在 GPU 上使用 OpenACC 对求解器进行了加速,并与 CPU 的顺序模拟进行了比较。所获得的速度提升可与大型多核系统相媲美。该框架针对具有轴对称狭窄的直动脉和具有轴对称窦道的双叶机械心脏瓣膜进行了广泛验证。然后,该框架模拟了复杂的动脉流动,如狭窄的主动脉、患者特异性分支主动脉、带有瓦尔萨尔瓦窦和主动脉的双叶机械心脏瓣膜,最后是患者特异性髂主动脉瘤。该框架大大降低了复杂动脉模型对 GPU 内存的需求,使我们能够在单个 GPU 中对狭窄主动脉和机械心脏瓣膜进行直接数值模拟(DNS)。
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引用次数: 0
Third-order numerical scheme for Euler equations of gas dynamics using Jordan canonical based splitting flux 使用基于约旦典范的分裂通量的气体动力学欧拉方程三阶数值方案
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-15 DOI: 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).

我们提出了三阶 A-WENO 有限差分方案,这些方案基于 [N. K. Garg 等人,计算物理学杂志,407(2020)] 最近针对气体动力学可压缩欧拉方程系统推出的一阶数值方案。这些方案的对流成分(通量),无论是一维还是多维,都摆脱了复杂的黎曼求解器。采用三阶特征明智 WENO-Z 插值来获得数值通量所需的三阶点值。为了证明所得方案的稳健性和准确性,我们在各种一维和二维示例中将数值结果与局部拉克斯-弗里德里希(LLF)和哈顿-拉克斯-范里尔(HLL)通量进行了比较。在提高接触波的分辨率(尤其是在孤立的稳定和移动接触间断点附近)以及精确分辨一维(1-D)高频波和二维(2-D)小尺度结构方面,所获得的结果优于 LLF 和 HLL 通量。
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引用次数: 0
An artificial compressibility approach to solve low Mach number flows in closed domains 解决封闭域中低马赫数流动的人工可压缩性方法
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-11 DOI: 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.

本文提出了一种人工可压缩性方法,用于计算低马赫数极限下可压缩方程在具有移动边界的封闭域中的解法。通过引入比物理声速低得多的人工声速来降低低马赫数刚度。这样就可以避免声学时间步长限制和经典可压缩求解器的精度损失,而无需求解压力泊松方程或使用 Turkel 型预处理技术的时间隐式离散化。此外,建议的公式涉及保守变量和动态压力,这有助于在经典的可压缩流 CFD 代码中实施该方法。所做的数值实验表明,该方法既精确又高效。
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引用次数: 0
Mechanism of collision and drainage of liquid droplet around sphere placed within a hollow cylinder 置于空心圆筒内的球体周围液滴的碰撞和排泄机理
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-11 DOI: 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 (Ds/Do), Weber number(We), Ohnesorge number (Oh), and Bond number(Bo) 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 Ds/Do due to which the liquid mass is drained out completely without any hindrance. The drainage process becomes considerably faster at a higher We compared to a lower We. In addition, the flow of liquid mass through the passage gets delayed at a greater Oh than a lower Oh assuming a given value of We and Ds/Do. The liquid drop requires less time to pass through the constricted path at lower Bo for a given value of Ds/Do and We. We have also attempted to quantify the drainage of liquid volume passes through the passage, which is denoted as (Q*=Q/Qo). One can notice the increasing pattern of Q/Qo with continuous progress of time stamp for all cases of Ds/Do

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。
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引用次数: 0
Lifting relations for a generalized total-energy double-distribution-function kinetic model and their impact on compressible turbulence simulation 广义总能双分布函数动力学模型的提升关系及其对可压缩湍流模拟的影响
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-11 DOI: 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).

最近,Qi 等人(2022 年)和 Guo 等人(2023 年)利用总能量双分布函数(DDF)公式提出了两种高效介观方法的替代设计,以下简称为 Qi 模型和 Guo 模型。这两个模型具有相同的优点,即只使用 40 个离散粒子速度来完全再现纳维-斯托克斯-傅里叶(NSF)系统。然而,Guo 模型基于更严格的动力学考虑,而 Qi 模型则依赖于更通用的源项设计,以允许调整体积-剪切粘度比。本文基于两种不同的方法,即 Hermite 扩展和 Chapman-Enskog 扩展,推导了 Qi 模型的提升关系,可用于构建介观方法的边界条件和初始条件。对于三维可压缩湍流模拟,包括可压缩衰减各向同性湍流和泰勒-格林涡流,将推导出的两组提升关系应用于初始化分布函数,研究它们的影响。有趣的是,对于 Qi 模型,两组提升关系产生了相同的结果,没有数值伪影,而对于 Guo 模型,必须指定适当的提升关系以避免流动初始化产生的数值伪影(Qi 等人,2023 年)。
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引用次数: 0
Accurate numerical prototypes of microfluidic droplet generators with open source tools 利用开源工具制作微流控液滴发生器的精确数值原型
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-11 DOI: 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.

基于液滴的微流控技术在(生物)分析和(生物)合成等多个领域都具有重要的技术影响,因而备受关注。精确可控的液滴大小对于封装产品或化学反应的产量至关重要。在广泛的实验参数范围内,了解液滴如何形成、相互作用和移动以及准确的预测模型至关重要。Basilisk 是一款开源软件,用于在自适应笛卡尔网格上求解偏微分方程,包括网格适应性和高性能计算(HPC)的可扩展性。本研究旨在将获得的液滴与现有实验数据进行分析和比较。评估涉及定性和定量比较,考虑了各种通道几何形状、流速和流变条件。通过对所提工具在准确性和计算性能方面的验证,我们能够为微流控领域提供一种可靠的工具,用于设计和优化液滴发生器。
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引用次数: 0
An efficient hybrid WENO scheme with minimized dispersion and adaptive dissipation properties for compressible flows 针对可压缩流的具有最小分散和自适应耗散特性的高效混合 WENO 方案
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-11 DOI: 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.

具有良好频谱特性的数值方案对于模拟具有不同长度尺度的可压缩流动以解析细小流动尺度非常重要。MDAD-HY 方案(Li 等人,2022 年)使用不连续性检测器和尺度传感器实现了最小离散和自适应耗散特性。然而,不连续性检测器是基于界面两侧的一阶导数和二阶导数之比设计的,会带来过高的数值成本。为解决这一问题,本研究提出了一种具有最小分散和自适应耗散特性的高效混合 WENO 方案。基于特征分解方法,本混合方案的数值通量是通过在线性 MDAD 方案和 MDAD-WENO 方案之间根据新的高效非维度不连续性检测器进行切换来实现的。线性通量采用分量法重建,以减少特征投影操作。为了进一步改善本方案的光谱特性,引入了一个自适应参数,根据不连续性指标控制最优线性方案的贡献。通过几个涉及宽带长度尺度和不连续性的基准测试案例,验证了本方案的效率和高分辨率能力。
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引用次数: 0
The effects of energy accommodation of reflected gas molecules on flow structures during expired spacecraft reentry 过气航天器再入大气层时反射气体分子的能量容纳对流动结构的影响
IF 2.5 3区 工程技术 Q3 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Pub Date : 2024-07-10 DOI: 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 (ω=Tw/T, Tw is surface temperature, T denotes as free stream temperature), but their amplitudes alter with ω at different fluid regimes. As for the effects of energy accommodation coefficients (αe), both pressure and temperature profiles vary in a linear way with αe. 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.

为了研究散射气体分子的能量容纳对大过载航天器再入大气层过程中流场的影响,在基于波尔兹曼模型方程的隐式算法中,采用了比完全麦克斯韦扩散模型更精细的气体-表面相互作用模型。通过隐式算法、纳维-斯托克斯求解器和 DSMC(直接模拟蒙特卡罗)方法,相应地得到了不同流体状态下气缸周围的特征分布。并验证了这些结果的一致性。结果证实,目前的算法能够解决涵盖各种流体状态的外部流动问题。模拟结果表明,在本文设定的当前条件下,压力和温度与壁面活化成正比(ω=Tw/T∞,Tw 为表面温度,T∞ 表示自由流温度),但在不同流体状态下,它们的振幅随 ω 而变化。至于能量容纳系数(αe)的影响,压力和温度曲线都随 αe 呈线性变化。不过,这些参数的变化范围因流体状态的不同而各异。这些观察结果有利于构建高效的预测软件,从而预测大型失效航天器的飞行路径。在这个预测软件中,外部弹道计算和空气热力学模拟是同步进行的。
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引用次数: 0
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Computers & Fluids
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