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Free energies play a central role in many descriptions of equilibrium and non-equilibrium properties of solids. Continuum partial differential equations (PDEs) of atomic transport, phase transformations and mechanics often rely on first and second derivati ...
In this work, we focus on the Dynamical Low Rank (DLR) approximation of PDEs equations with random parameters. This can be interpreted as a reduced basis method, where the approximate solution is expanded in separable form over a set of few deterministic b ...
Accretion disks surrounding compact objects, and other environmental factors, deviate satellites from geodetic motion. Unfortunately, setting up the equations of motion for such relativistic trajectories is not as simple as in Newtonian mechanics. The prin ...
The importance of configurational, vibrational, and electronic excitations in crystalline solids of technological interest makes a rigorous treatment of thermal excitations an essential ingredient in first-principles models of materials behavior. This cont ...
Annual Reviews2018
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We develop structure-preserving reduced basis methods for a large class of problems by resorting to their semi-discrete formulation as Hamiltonian dynamical systems. In this perspective, the phase space is naturally endowed with a Poisson manifold structur ...
2018
The finite-element method (FEM) is one of the main numerical analysis methods in continuum mechanics and mechanics of solids (Huebner and others, 2001). Through mesh discretization of a given continuous domain into a finite number of sub-domains, or elemen ...
Choosing an appropriate representation of the molecular Hamiltonian is one of the challenges faced by simulations of the nonadiabatic quantum dynamics around a conical intersection. The adiabatic, exact quasidiabatic, and strictly diabatic representations ...
The free energy plays a fundamental role in theories of phase transformations and microstructure evolution. It encodes the thermodynamic coupling between different fields, such as mechanics and chemistry, within continuum descriptions of non-equilibrium ma ...
This paper proposes high-order accurate well-balanced (WB) energy stable (ES) adaptive moving mesh finite difference schemes for the shallow water equations (SWEs) with non flat bottom topography. To enable the construction of the ES schemes on moving mesh ...
We present a structure preserving numerical algorithm for the collision of elastic bodies. Our integrator is derived from a discrete version of the field-theoretic (multisymplectic) variational description of nonsmooth Lagrangian continuum mechanics, combi ...
