ABSTRACT
We present a microscopic derivation of the laws of continuum mechanics of nonideal ordered solids including dissipation, defect diffusion, and heat transport. The starting point is the classical many-body Hamiltonian. The approach relies on the Zwanzig-Mori projection operator formalism to connect microscopic fluctuations to thermodynamic derivatives and transport coefficients. Conservation laws and spontaneous symmetry breaking, implemented via Bogoliubov's inequality, determine the selection of the slow variables. Density fluctuations in reciprocal space encode the displacement field and the defect concentration. Isothermal and adiabatic elastic constants are obtained from equilibrium correlations, while transport coefficients are given as Green-Kubo formulas, providing the basis for their measurement in atomistic simulations or colloidal experiments. The approach to the linearized continuum mechanics and results are compared to others from the literature.
ABSTRACT
In complex crystals close to melting or at finite temperatures, different types of defects are ubiquitous and their role becomes relevant in the mechanical response of these solids. Conventional elasticity theory fails to provide a microscopic basis to include and account for the motion of point defects in an otherwise ordered crystalline structure. We study the elastic properties of a point-defect rich crystal within a first principles theoretical framework derived from the microscopic equations of motion. This framework allows us to make specific predictions pertaining to the mechanical properties that we can validate through deformation experiments performed in molecular dynamics simulations.
ABSTRACT
Starting from the microscopic description of a normal fluid in terms of any kind of local interacting many-particle theory we present a well defined step by step procedure to derive the hydrodynamic equations for the macroscopic phenomena. We specify the densities of the conserved quantities as the relevant hydrodynamic variables and apply the methods of non-equilibrium statistical mechanics with projection operator techniques. As a result we obtain time-evolution equations for the hydrodynamic variables with three kinds of terms on the right-hand sides: reversible, dissipative and fluctuating terms. In their original form these equations are completely exact and contain nonlocal terms in space and time which describe nonlocal memory effects. Applying a few approximations the nonlocal properties and the memory effects are removed. As a result we find the well known hydrodynamic equations of a normal fluid with Gaussian fluctuating forces. In the following we investigate if and how the time-inversion invariance is broken and how the second law of thermodynamics comes about. Furthermore, we show that the hydrodynamic equations with fluctuating forces are equivalent to stochastic Langevin equations and the related Fokker-Planck equation. Finally, we investigate the fluctuation theorem and find a modification by an additional term.
ABSTRACT
We compute spin transport in the unitary Fermi gas using the strong-coupling Luttinger-Ward theory. In the quantum degenerate regime the spin diffusivity attains a minimum value of D(s) Symbol: see text] 1.3 h/m approaching the quantum limit of diffusion for a particle of mass m. Conversely, the spin drag rate reaches a maximum value of Γ(sd) [Symbol: see text] 1.2k(B)T(F)/h in terms of the Fermi temperature T(F). The frequency-dependent spin conductivity σ(s)(ω) exhibits a broad Drude peak, with spectral weight transferred to a universal high-frequency tail σ(s) (ω â ∞) = h(1/2)C/3π(mω)(3/2) proportional to the Tan contact density C. For the spin susceptibility χ(s)(T) we find no downturn in the normal phase.
