Structure-preserving integrators for dissipative systems based on reversible- irreversible splitting

被引:27
|
作者
Shang, Xiaocheng [1 ]
Ottinger, Hans Christian [2 ]
机构
[1] Univ Birmingham, Sch Math, Birmingham B15 2TT, W Midlands, England
[2] Swiss Fed Inst Technol, Dept Mat, Polymer Phys, Leopold Ruzicka Weg 4, CH-8093 Zurich, Switzerland
关键词
structure-preserving integrators; dissipative systems; GENERIC; (conformal) symplectic; metriplectic; discrete gradient methods; VARIATIONAL FORMULATION; ADAPTIVE THERMOSTATS; BRACKET FORMULATION; SYMPLECTIC SCHEMES; TIME INTEGRATION; COUPLED PROBLEMS; COMPLEX FLUIDS; THERMODYNAMICS; ALGORITHMS; DYNAMICS;
D O I
10.1098/rspa.2019.0446
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
We study the optimal design of numerical integrators for dissipative systems, for which there exists an underlying thermodynamic structure known as GENERIC (general equation for the nonequilibrium reversible-irreversible coupling). We present a frame-work to construct structure-preserving integrators by splitting the system into reversible and irreversible dynamics. The reversible part, which is often degenerate and reduces to a Hamiltonian form on its symplectic leaves, is solved by using a symplectic method (e.g. Verlet) with degenerate variables being left unchanged, for which an associated modified Hamiltonian (and subsequently a modified energy) in the form of a series expansion can be obtained by using backward error analysis. The modified energy is then used to construct a modified friction matrix associated with the irreversible part in such a way that a modified degeneracy condition is satisfied. The modified irreversible dynamics can be further solved by an explicit midpoint method if not exactly solvable. Our findings are verified by various numerical experiments, demonstrating the superiority of structure-preserving integrators over alternative schemes in terms of not only the accuracy control of both energy conservation and entropy production but also the preservation of the conformal symplectic structure in the case of linearly damped systems.
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页数:25
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