Related papers: A first-principles global multiphase equation of s…
Evolution of an arbitrary initial distribution of a quantummechanical particle in a uniform molecular chain is simulated by a system of coupled quantumclassical dynamical equations with dissipation. Stability of a uniform distribution of…
We discuss peculiar aspects of the first law of thermodynamics for systems characterized by the presence of meta-equilibrium quasi-stationary states for which the pertinent phase/configuration spaces is generally inhomogeneous. As a…
We propose a generalization of equations of quantum mechanics in the hydrodynamic form by introducing the terms taking into account the diffusion velocity at zero and finite temperatures and the density energy of diffusion pressure of the…
A new analytical approach to derive an approximate equation of state and the virial coefficients for simple fluids is presented. Starting from the usual expression of the partition function, we first perform a Fourier transformation, and…
A roughly constant temperature over a wide range of densities is maintained in molecular clouds through radiative heating and cooling. An isothermal equation of state is therefore frequently employed in molecular cloud simulations. However,…
Preparing the ground states of a many-body system is essential for evaluating physical quantities and determining the properties of materials. This work provides a quantum ground state preparation scheme with shallow variational warm-start…
We propose a means for constructing highly accurate equations of state (EOS) for elemental solids and liquids essentially from first principles, based upon a particular decomposition of the underlying condensed matter Hamiltonian for the…
Boyle's 1662 observation that the volume of a gas is, at constant temperature, inversely proportional to pressure, offered a prototypical example of how an equation of state (EoS) can succinctly capture key properties of a many-particle…
We investigate the equilibration and the equation of state of a hot hadron gas at finite baryon density using an event generator which is designed to approximately satisfy detailed balance at finite temperatures and finite baryon densities…
We develop a microscopic approach to the consistent construction of the kinetic theory of dilute weakly ionized gases of hydrogen-like atoms. The approach is based on the framework of the second quantization method in the presence of bound…
The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…
A basis set of generalized nonspherical Gaussian functions (GGTOs) is presented and discussed. As a first example we report on Born-Oppenheimer energies of the hydrogen molecule. Although accurate results have been obtained, we conclude…
A general formulation is presented to derive the equation of motion and to demonstrate thermodynamic consistency for several classes of phase field models at once. It applies to models with a conserved phase field, describing either uniform…
We compute the free energy of helium-4 near the lambda transition based on an exact renormalization-group equation. An approximate solution permits the determination of universal and nonuniversal thermodynamic properties starting from the…
For classical discrete systems under constant composition typically refferred to substitutional alloys, we propose calculation method of Helmholtz free energy based on a set of special microscopic states. The advantage of the method is that…
We introduce a coupled Cahn-Hilliard Navier-Stokes model that governs the two-phase dynamics of a system that consists of a fluid and a solid phase and prove its thermodynamic consistency. Moreover, we present an associated fully-discrete…
Simulation techniques based on accurate and efficient representations of potential energy surfaces are urgently needed for the understanding of complex aqueous systems such as solid-liquid interfaces. Here, we present a machine learning…
Simple classical thermodynamic approach to the general description of metastable states is presented. It makes possible to calculate the explicit dependence of the Gibbs free energy on temperature, to calculate the heat capacity, the…
Long-lived quasistationary states, associated with stationary stable solutions of the Vlasov equation, are found in systems with long-range interactions. Studies of the relaxation time in a model of $N$ globally coupled particles moving on…
In the current work an equation of state model with a first-order phase transition for astrophysical applications is presented. The model is based on a two-phase approach for quark-hadron phase transitions, which leads by construction to a…