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- ItemDissipative quantum mechanics using GENERIC(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2012) Mielke, AlexanderPure quantum mechanics can be formulated as a Hamiltonian system in terms of the density matrix. Dissipative effects are modeled via coupling to a macroscopic system, where the coupling operators act via commutators. Following Öttinger (2010) we use the GENERIC framework (General Equations for Non-Equilibrium Reversible Irreversible Coupling) to construct thermodynamically consistent evolution equations as a sum of a Hamiltonian and a gradient-flow contribution, which satisfy a particular non-interaction condition:
- ItemAn entropic gradient structure for Lindblad equations and GENERIC for quantum systems coupled to macroscopic models(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2016) Mittnenzweig, Markus; Mielke, AlexanderWe show that all Lindblad operators (i.e. generators of quantum semigroups) on a finite-dimensional Hilbert space satisfying the detailed balance condition with respect to the thermal equilibrium state can be written as a gradient system with respect to the relative entropy. We discuss also thermodynamically consistent couplings to macroscopic systems, either as damped Hamiltonian systems with constant temperature or as GENERIC systems.
- ItemFree energy, free entropy, and a gradient structure for thermoplasticity(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2015) Mielke, AlexanderIn the modeling of solids the free energy, the energy, and the entropy play a central role. We show that the free entropy, which is defined as the negative of the free energy divided by the temperature, is similarly important. The derivatives of the free energy are suitable thermodynamical driving forces for reversible (i.e. Hamiltonian) parts of the dynamics, while for the dissipative parts the derivatives of the free entropy are the correct driving forces. This difference does not matter for isothermal cases nor for local materials, but it is relevant in the non-isothermal case if the densities also depend on gradients, as is the case in gradient thermoplasticity. Using the total entropy as a driving functional, we develop gradient structures for quasistatic thermoplasticity, which again features the role of the free entropy. The big advantage of the gradient structure is the possibility of deriving time-incremental minimization procedures, where the entropy-production potential minus the total entropy is minimized with respect to the internal variables and the temperature. We also highlight that the usage of an auxiliary temperature as an integrating factor in Yang/Stainier/Ortiz "A variational formulation of the coupled thermomechanical boundary-value problem for general dissipative solids" (J. Mech. Physics Solids, 54, 401-424, 2006) serves exactly the purpose to transform the reversible driving forces, obtained from the free energy, into the needed irreversible driving forces, which should have been derived from the free entropy. This reconfirms the fact that only the usage of the free entropy as driving functional for dissipative processes allows us to derive a proper variational formulation.
- ItemOn thermodynamical couplings of quantum mechanics and macroscopic systems(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2014) Mielke, AlexanderPure quantum mechanics can be formulated as a Hamiltonian system in terms of the Liouville equation for the density matrix. Dissipative effects are modeled via coupling to a macroscopic system, where the coupling operators act via commutators. Following Öttinger (2010) we use the GENERIC framework to construct thermodynamically consistent evolution equations as a sum of a Hamiltonian and a gradient-flow contribution, which satisfy a particular non-interaction condition: q̇ = J(q)DE(q) + K(q)DS(q). We give three applications of the theory. First, we consider a finite-dimensional quantum system that is coupled to a finite number of simple heat baths, each of which is described by a scalar temperature variable. Second, we model quantum system given by a one-dimensional Schrödinger operator connected to a onedimensional heat equation on the left and on the right. Finally, we consider thermoopto-electronics, where the Maxwell-Bloch system of optics is coupled to the energydrift-diffusion system for semiconductor electronics.
- ItemFormulation of thermo-elastic dissipative material behavior using GENERIC(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2010) Mielke, AlexanderThe theory of GENERIC (general equations for non-equilibrium reversible irreversibel coupling) is presented in a mathematical form. It is applied first to simple mechanical systems and then generalized to standard generalized materials. It is shown that nonisothermal viscoplasticity can be cast into the form of GENERIC, if the dissipative structure is generalized from linear functionals to the more general subdifferential of convex potentials