论文标题
卡尔曼(Carleman
Carleman linearization approach for chemical kinetics integration toward quantum computation
论文作者
论文摘要
Harrow,Hassidim,Lloyd(HHL)算法是一种量子算法,预计可以加速求解大规模的线性普通微分方程(ODES)。要将HHL应用于非线性问题,例如化学反应,必须将系统线性化。在这项研究中,Carleman线性化被用来将化学反应的非线性一阶ODES转化为线性ODE。尽管从理论上讲,这种线性化需要生成无限矩阵,但可以重建原始的非线性方程。为了实际使用,应将线性化系统用有限的尺寸截断,分析精度可以通过截断程度来确定。矩阵应该足够大,以便满足精度,因为量子计算机可以治疗。我们的方法应用于单变量的非线性dy/dt = -y^2系统,以研究卡尔曼线性化和时间步长对绝对误差的截短顺序的影响。随后,解决了H2/空气和CH4/空气混合物的两个零维均匀点火问题。结果表明,所提出的方法可以准确地再现参考数据。此外,即使时间步长较大,卡尔曼线性化的截断顺序也提高了精度。因此,我们的方法可以为复杂的燃烧系统迅速提供准确的数值模拟。
The Harrow, Hassidim, Lloyd (HHL) algorithm is a quantum algorithm expected to accelerate solving large-scale linear ordinary differential equations (ODEs). To apply the HHL to non-linear problems such as chemical reactions, the system must be linearized. In this study, Carleman linearization was utilized to transform nonlinear first-order ODEs of chemical reactions into linear ODEs. Although this linearization theoretically requires the generation of an infinite matrix, the original nonlinear equations can be reconstructed. For the practical use, the linearized system should be truncated with finite size and analysis precision can be determined by the extent of the truncation. Matrix should be sufficiently large so that the precision is satisfied because quantum computers can treat. Our method was applied to a one-variable nonlinear dy/dt = -y^2 system to investigate the effect of truncation orders in Carleman linearization and time step size on the absolute error. Subsequently, two zero-dimensional homogeneous ignition problems for H2/air and CH4/air gas mixtures were solved. The results revealed that the proposed method could accurately reproduce reference data. Furthermore, an increase in the truncation order in Carleman linearization improved accuracy even with a large time-step size. Thus, our approach can provide accurate numerical simulations rapidly for complex combustion systems.