Amit Acharya

Sabyasachi Chatterjee, Amit Acharya, Zvi Artstein

A computational tool for coarse-graining nonlinear systems of ordinary differential equations in time is discussed. Three illustrative model examples are worked out that demonstrate the range of capability of the method. This includes the averaging of Hamiltonian as well as dissipative microscopic dynamics whose `slow' variables, defined in a precise sense, can often display mixed slow-fast response as in relaxation oscillations, and dependence on initial conditions of the fast variables. Also covered is the case where the quasi-static assumption in solid mechanics is violated. The computational tool is demonstrated to capture all of these behaviors in an accurate and robust manner, with significant savings in time. A practically useful strategy for initializing short bursts of microscopic runs for the accurate computation of the evolution of slow variables is also developed.

N. Sukumar, Amit Acharya

Many partial differential equations (PDEs) such as Navier--Stokes equations in fluid mechanics, inelastic deformation in solids, and transient parabolic and hyperbolic equations do not have an exact, primal variational structure. Recently, a variational principle based on the dual (Lagrange multiplier) field was proposed. The essential idea in this approach is to treat the given PDEs as constraints, and to invoke an arbitrarily chosen auxiliary potential with strong convexity properties to be optimized. On requiring the vanishing of the gradient of the Lagrangian with respect to the primal variables, a mapping from the dual to the primal fields is obtained. This leads to requiring a convex dual functional to be minimized subject to Dirichlet boundary conditions on dual variables, with the guarantee that even PDEs that do not possess a variational structure in primal form can be solved via a variational principle. The vanishing of the first variation of the dual functional is, up to Dirichlet boundary conditions on dual fields, the weak form of the primal PDE problem with the dual-to-primal change of variables incorporated. We derive the dual weak form for the linear, one-dimensional, transient convection-diffusion equation. A Galerkin discretization is used, with the trial and test functions chosen as linear combination of either shallow neural networks with RePU activation functions or B-splines; the corresponding stiffness matrix is symmetric. For transient problems, a space-time Galerkin implementation is used with tensor-product B-splines as approximating functions. Numerical results are presented for the steady-state and transient convection-diffusion equation, and transient heat conduction. The proposed method delivers sound accuracy for ODEs and PDEs and rates of convergence are established in the $L^2$ norm and $H^1$ seminorm for the steady-state convection-diffusion problem.

Amit Acharya, Aarti Sawant

A non-perturbative approach to the time-averaging of nonlinear, autonomous ODE systems is developed based on invariant manifold methodology. The method is implemented computationally and applied to model problems arising in the mechanics of solids.