相关论文: Another resolution of the configurational entropy …
Recently, an entropic uncertainty relation for multiple measurements has been proposed by Liu et al. in [Phys. Rev. A 91, 042133 (2015)]. However, the lower bound of the relation is not always tight with respect to different measurements.…
We investigate the response of a system of hard spheres to two classes of perturbations over a range of densities spanning the fluid, crystalline, and glassy regimes within a molecular dynamics framework. Firstly, we consider the relaxation…
Hydrodynamics provides a concise but powerful description of long-time and long-distance physics of correlated systems out of thermodynamic equilibrium. Here we construct hydrodynamic equations for nonrelativistic particles with a…
We study the nonequilibrium statistical mechanics of a finite classical system subjected to nongradient forces $\xi$ and maintained at fixed kinetic energy (Hoover-Evans isokinetic thermostat). We assume that the microscopic dynamics is…
A typical strategy of realizing an adiabatic change of a many-particle system is to vary parameters very slowly on a time scale $t_\text{r}$ much larger than intrinsic equilibration time scales. In the ideal case of adiabatic state…
The viscosity of hadronic matter is studied using a classical evaluation of the scattering angle and a quantum mechanical discussion based on phase shifts from a potential. Semi classical limits of the quantum theory are presented. A hard…
A comprehensive literature review on recently rediscovered Co- and/or CoNi-based superalloys, strengthened by the {\gamma}' phase, revealed a relationship between the configurational entropy of the system and the {\gamma}' solvus…
A kinetic equation for a dilute gas of hard spheres confined between two parallel plates separated a distance smaller than two particle dimeters is derived. It is a Boltzmann-like equation, which incorporates the effect of the confinement…
We define a diagonal entropy (d-entropy) for an arbitrary Hamiltonian system as $S_d=-\sum_n \rho_{nn}\ln \rho_{nn}$ with the sum taken over the basis of instantaneous energy states. In equilibrium this entropy coincides with the…
This work presents a simple model for describing the interstitials behavior in solid solutions enlarging the current random interstitial atoms paradigm. A general and parameter-free analytical expression to compute the configurational…
Stochastic Structural Stability Theory (S3T) provides analytical methods for understanding the emergence and equilibration of jets from the turbulence in planetary atmospheres based on the dynamics of the statistical mean state of the…
We discuss phase coexistence of polydisperse colloidal suspensions in the presence of adhesion forces. The combined effect of polydispersity and Baxter's sticky-hard-sphere (SHS) potential, describing hard spheres interacting via strong and…
Multi-configurational wave functions are known to describe electronic structure across a Born-Oppenheimer surface qualitatively correct. However, for quantitative reaction energies, dynamical correlation originating from the many…
The entropies of molecules in solution are routinely calculated using gas phase formulae. It is assumed that, because implicit solvation models are fitted to reproduce free energies, this is sufficient for modeling reactions in solution.…
Microscopic formula to describe the entropy of biomolecular solutions are derived based on the Gibbs formula of entropy, and the generalized Langevin theory combined with the RISM/3D-RISM theory. Two formula are derived: one is concerned…
The strong subadditivity of entropy plays a key role in several areas of physics and mathematics. It states that the entropy S[\rho]= - Tr (\rho \ln \rho) of a density matrix \rho_{123} on the product of three Hilbert spaces satisfies…
High-entropy oxides (HEOs) offer a unique platform for exploring the thermodynamic interaction between configurational entropy and enthalpy in stabilizing complex solid solutions. In this study, a series of rock-salt structured oxides with…
(abbreviated) The statistical mechanics of self-gravitating systems is a long-held puzzle. In this work, we employ a phenomenological entropy form of ideal gas, first proposed by White & Narayan, to revisit this issue. By calculating the…
Spherically symmetric equilibrium configurations of perfect fluid obeying a polytropic equation of state are studied in spacetimes with a repulsive cosmological constant. The configurations are specified in terms of three parameters---the…
An \emph{ab initio} Langevin dynamics approach is developed based on stochastic density functional theory (sDFT) within a new \emph{embedded saturated } \emph{fragment }formalism, applicable to covalently bonded systems. The forces on the…