Related papers: Second generation wave-function thermostat for ab-…
The Langevin equation accounts for unresolved bath degrees of freedom driving the system toward the bath temperature. Because of this, numerical solutions of the Langevin equation have a long history. Here, we recapitulate, combine, and…
The interrelation of dynamic processes active on separated time-scales in glasses and viscous liquids is investigated using a model displaying two time-scale bifurcations both between fast and secondary relaxation and between secondary and…
We propose a dynamical model for the secondary structure of DNA, which is based on the finite stacking enthalpies used in thermodynamics calculations. In this model, the two strands can separate and the bases are allowed to rotate…
We propose a novel type of ergostats and thermostats for molecular dynamics simulations. A general class of active particle swarm models is considered, where any specific total energy (alternatively any specific temperature) can be provided…
Thermodynamics is traditionally concerned with systems comprised of a large number of particles. Here we present a framework for extending thermodynamics to individual quantum systems, including explicitly a thermal bath and work-storage…
We present full characterisation of acoustic wave devices based on the fully synthetic crystalline material at the liquid helium temperature range { required for the design of ultra low loss mechanical systems in many areas of research…
In most cases the ultrafast dynamics of resonantly excited molecules are considered, and almost always computed in the molecular frame, while experiments are carried out in the laboratory frame. Here we provide a formalism in terms of a lab…
The Gaussian wavefunctional approach is developed in thermofield dynamics. We manufacture thermal vacuum wavefunctional, its creation as well as annihilation operators,and accordingly thermo-particle excited states. For a (D+1)-dimensional…
Recent numerical simulations of a disordered system (Preprint arXiv:condmat/0307554) have shown the existence of two different relaxational processes (called stimulated and spontaneous) characterizing the relaxation observed in structural…
This paper presents the first thermodynamic assessment of binary and pseudo-binary phase diagrams in the Ba--La--S and Ga--La--S systems by means of the CALPHAD method. Experimental phase diagram equilibrium data and thermodynamic…
The functional renormalization group for the effective action is used to construct an effective hydrodynamic description of weakly interacting Bose gases. We employ a scale-dependent parametrization of the boson fields developed previously…
Macroscopic theories of nucleation such as classical nucleation theory envision that clusters of the bulk stable phase form inside the bulk metastable phase. Molecular dynamics simulations are often used to elucidate nucleation mechanisms,…
Thermostats are dynamic equations used to model thermodynamic variables in molecular dynamics. The applicability of thermostats is based on the ergodic hypothesis. The most commonly used thermostats are designed according to the…
The applicability of stochastic differential equations to thermodynamics is considered and a new form, different from the classical Ito and Stratonovich forms, is introduced. It is shown that the new presentation is more appropriate for the…
Microcanonical equations for several thermodynamic properties of a system, suitable for molecular dynamics simulations, are derived from the nonextensive Tsallis entropy functional. Two possible definitions of temperature, the usual one and…
Cellular suspensions such as dense bacterial flows exhibit a turbulence-like phase under certain conditions. We study this phenomenon of "active turbulence" statistically by using numerical tools. Following Wensink et al. [Proc. Natl. Acad.…
The fact that a temperature and an entropy may be associated with horizons in semi-classical general relativity has led many to suspect that spacetime has microstructure. If this is indeed the case then its description via Riemannian…
A Lagrangian generalization of time-reversible Born-Oppenheimer molecular dynamics [Niklasson et al., Phys. Rev. Lett. vol. 97, 123001 (2006)] is proposed. The Lagrangian includes extended electronic degrees of freedom as auxiliary…
We construct the soft-collinear effective Lagrangian which is manifestly gauge invariant order by order. Field redefinitions of collinear gauge fields and a proper decomposition of quark fields are necessary to make the Lagrangian gauge…
Generalization through novel interpretations of the inner logic of the century-old Gibbs' statistical thermodynamics is presented: i) Identifying $k_B\to 0$ as classical energetics, one directly derives a pair of thermodynamic variational…