相关论文: The Tersoff potential for extreme environment

Continuing our investigation into the Hierarchical Reference Theory of fluids for thermodynamic states of infinite isothermal compressibility kappa[T] we now turn to the available numerical evidence to elucidate the character of the partial…

We introduce an approach to exploit the existence of multiple levels of description of a physical system to radically accelerate the determination of thermodynamic quantities. We first give a proof of principle of the method using two…

Assuming a phenomenological self-energy $Im \Sigma(\omega) \sim |\omega|^{\beta\}, (\beta=1 $), which becomes gapped below $T_c$, we derived a new gap equation. The new gap equation contains the effect of the kinetic energy gain upon…

This work investigates how site-specific doping can enhance the thermoelectric performance of tetragonal Cu$_{2}$S using Density functional Theory and Projected Atomic Orbital Framework for Electronic Transport. We address the gap in…

We use recently developed effective field theory techniques to calculate the third order post-Newtonian correction to the spin-spin potential between two spinning objects. This correction represents the first contribution to the spin-spin…

Mixing and heat transfer rates are typically enhanced when operating at high-pressure transcritical turbulent flow regimes. The rapid variation of thermophysical properties in the vicinity of the pseudo-boiling region can be leveraged to…

An alternative multipole expansion of the correlation term is derived. Modified spherical Bessel type functions which simplify as a summation of multiple orders of basic trigonometric functions are generated from this new method. We use…

The emerging field of spinoptronics has a potential to supersede the functionality of modern electronics, while a proper description of strong light-matter coupling pose the most intriguing questions from both fundamental scientific and…

First steps towards developing a new perturbation theory for molecular liquids are taken. By choosing a new form of splitting the site-site potential functions between molecules, we will get a set of atomic fluids as the reference system…

Borosilicate glasses are traditionally challenging to model using atomic scale simulations due to the composition and thermal history dependence of the coordination state of B atoms. Here, we report a new empirical interatomic potential…

It is demonstrated that power-laws which are modified by logarithmic corrections arise in supercorrelated systems. Their characteristic feature is the energy attributed to a state (or value of a general cost function) which depends…

We extended our formulation of causal dissipative hydrodynamics [T. Koide \textit{et al.}, Phys. Rev. \textbf{C75}, 034909 (2007)] to be applicable to the ultra-relativistic regime by considering the extensiveness of irreversible currents.…

We consider the Poisson-Nernst-Planck system which is well-accepted for describing dilute electrolytes as well as transport of charged species in homogeneous environments. Here, we study these equations in porous media whose electric…

It is well-known that owing to the restricted character of the area additional surface terms emerge in the traditional form of hypervirial and/or Ehrenfest theorems. Especially, when one considers spherically symmetric potentials and…

An often used rule that the thermal correction to the self-energy is the thermal phase-space times the forward scattering amplitude from target particles is shown to be the leading term in an exact multiple scattering expansion. Starting…

A modification of the Gay-Berne potential is proposed which is about 10% to 20% more speed efficient (that is, the original potential runs 15% to 25% slower, depending on architecture) and statistically more accurate in reproducing the…

We analyze the perceptron model performing a Plefka-like expansion of the free energy. This model falls in the same universality class as hard spheres near jamming, allowing to get exact predictions in high dimensions for more complex…

A novel nonlocal density functional for the kinetic pressure tensor of a Fermi gas is derived. The functional is designed to reconcile the Quantum Hydrodynamic Model with the microscopic approaches, both for homogeneous equilibrium and…

We present the full thermodynamics of a fluid confined by an arbitrary external potential based on the virial expansion of the grand potential. The fluid may be classical or quantum and it is assumed that interatomic interactions are…

Recently we have computed the third order corrections to the ground state energy of the arbitrarily polarized diluted gas of spin 1/2 fermions interacting through a spin-independent repulsive two-body potential. Here we extend this result…