Related papers: Self-consistent Ornstein-Zernike approximation for…
We present a first principle scheme to compute the rigidity, i. e. the shear-modulus of structural glasses at finite temperatures using the cloned liquid theory, which combines the replica theory and the liquid theory. With the aid of the…
We demonstrate how a single heat exchange between a probe thermal qubit and multi-qubit thermal machine encoding a Boolean function, can determine whether the function is balanced or constant, thus providing a novel thermodynamic solution…
Recent works have associated systems of particles, characterized by short-range repulsive interactions and evolving under overdamped motion, to a nonlinear Fokker-Planck equation within the class of nonextensive statistical mechanics, with…
Self-interaction (SI) error, which results when exchange-correlation contributions to the total energy are approximated, limits the reliability of many density functional approximations. The Perdew-Zunger SI correction (PZSIC), when applied…
We study the consistency and convergence of smoothed particle hydrodynamics (SPH), as a function of the interpolation parameters, namely the number of particles $N$, the number of neighbors $n$, and the smoothing length $h$, using…
The RPA long range correlations are known to play a significant role in understanding the depletion of single particle-hole states observed in (e, e') and (e, e'p) measurements. Here the Random Phase Approximation (RPA) theory, implemented…
A theory of electron injection into diffusive shock acceleration (DSA) for the generation of cosmic-ray electrons at collisionless shocks is presented. We consider a recently proposed particle acceleration mechanism called stochastic shock…
We present a detailed numerical study of effective interactions between micron-sized silica spheres, induced by highly charged zirconia nanoparticles. It is demonstrated that the effective interactions are consistent with a recently…
We study the non-equilibrium properties of non interacting active Ornstein-Uhlenbeck particles (AOUP) subject to an external nonuniform field using a Fokker-Planck approach with a focus on the linear response and time-correlation functions.…
Water is essential for life and technological applications, mainly for its unique thermodynamic and dynamic properties, often anomalous or counterintuitive. These anomalies result from the hydrogen-bonds fluctuations, as evidenced by…
We provide a comprehensive presentation of the Hierarchical Reference Theory (HRT) in the smooth cut-off formulation. A simple and self-consistent derivation of the hierarchy of differential equations is supplemented by a comparison with…
In this paper, we develop an approximate theory of the temperature coefficient of resistivity (TCR) and conductivity based upon the recently proposed Microscopic Response Method. By introducing suitable approximations for the lattice…
The present investigation examines the relationship between structural order, diffusivity anomalies, and density anomalies in liquid silica by means of molecular dynamics simulations. We use previously defined orientational and…
A molecular theory of the glass transition of network forming liquids is developed using a combination of self-consistent phonon and liquid state approaches. Both the dynamical transition and the entropy crisis characteristic of random…
A strong-coupling-perturbation theory around the Atomic Limit of the Anderson model with large $U$ for a localized $f$-orbital coupled to a conduction-electron band is presented. Although an auxiliary-particle representation is {\em not}…
Aiming to approach the thermodynamical properties of hard-core systems by standard molecular dynamics simulation, we propose setting a repulsive constant-force for overlapping particles. That is, the discontinuity of the pair potential is…
We develop the Cauchy theory of the spatially homogeneous inelastic Boltzmann equation for hard spheres, for a general form of collision rate which includes in particular variable restitution coefficients depending on the kinetic energy and…
Simplest extensions of single particle dynamics in momentum conserving active fluid - that of an active suspension of two colloidal particles or a single particle confined by a wall - exhibit strong departures from Boltzmann behavior,…
Supercooled water exhibits a breakdown of the Stokes-Einstein relation between the diffusion constant $D$ and the alpha relaxation time $\tau_{\alpha}$. For water simulated with the TIP5P and ST2 potentials, we find that the temperature of…
Crystallization kinetics has features that are universal and independent of the type of crystallized system. The possibility of using scaling relations to describe the temperature dependences of the surface self-diffusion coefficient $D_s$,…