Related papers: An Interaction Potential for Atomic Simulations of…
We compute the Hugoniot curves of both neat TATB and its detonation products mixture using atomistic simulation tools. To compute the Hugoniot states, we adapted our "Sampling Constraints in Average" (SCA) method (Maillet et al., Applied…
Adaptive precision molecular dynamics simulations have developed along energy- and force-coupling approaches, which allow for a continuous transition between different particle descriptions or interaction potentials. Most approaches…
We obtain for the attractive Dirac delta-function potential in two-dimensional quantum mechanics a renormalized formulation that avoids reference to a cutoff and running coupling constant. Dimensional transmutation is carried out before…
An approach is proposed to calculate the direct reaction (DR) and fusion probabilities for heavy ion collisions at near-Coulomb-barrier energies as functions of the distance of closest approach D within the framework of the optical model…
The overlapping stage of heavy-ion reactions can be simulated by dynamical microscopical models, such as those built on the basis of the Molecular Dynamics (MD) approaches, allowing to study the fragment formation process. The present…
We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum…
Following the recently accumulated information on the vibrational properties of the Cu(001) surface acquired through single- and multiphonon He atom scattering experiments and the concomitant theoretical investigations, we have reexamined…
In nuclear physics, it is well known that the electromagnetic (Coulomb) interaction between final state products can drastically effect particle reaction rates. Near thresholds, for example, nuclear alpha decay is suppressed while nuclear…
The nucleus-nucleus potential is calculated in the frame work of the double folding model (DFM) to obtain the Coulomb barrier parameters (barrier position and height), starting from M3Y-Reid nucleon-nucleon interaction and realistic nuclear…
Background: Collective excitations of nuclei and their theoretical descriptions provide an insight into the structure of nuclei. Replacing traditional phenomenological interactions with unitarily transformed realistic nucleon-nucleon…
To facilitate the relativistic heavy-ion calculations based on transport equations, the binary collisions involving a $\Delta$ resonance in either the entrance channel or the exit channel are investigated within a Hamiltonian formulation of…
The interactions between atoms and molecules may be described by a potential energy function of the nuclear coordinates. Non-bonded interactions are dominated by repulsive forces at short range and attractive dispersion forces at long…
We derive exact expressions for the forces and torques between biaxial molecules interacting via the RE-squared potential, a recent variant of the Gay-Berne potential. Moreover, efficient routines have been provided for rigid body MD…
High energy hadronic and nuclear interactions are described within Gribov's Reggeon scheme. An approach to re-summation of enhanced Pomeron graphs is proposed. The latter is applied to develop a new Monte Carlo model which treats non-linear…
We find the numerically exact partition potential for 1-D systems of interacting electrons designed to model diatomic molecules. At integer fragment occupations, the kinetic contribution to the partition potential develops sharp features in…
We study a non-relativistic particle subject to a three-dimensional spherical potential consisting of a finite well and a radial $\delta$-$\delta'$ contact interaction at the well edge. This contact potential is defined by appropriate…
By separating the effect of substituents from chemical process variables, such as reaction mechanism, solvent, or temperature, the Hammett equation enables control of chemical reactivity throughout chemical space. We used global regression…
Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type…
Ultracold dipolar atoms and molecules provide a flexible quantum simulation platform for studying strongly interacting many-body systems. Determining microscopic Hamiltonian parameters of the simulator is crucial for it to be useful. We…
We propose a physical mechanism for tuning the atom-atom interaction strength at ultra-low temperatures. In the presence of a dc electric field the interatomic potential is changed due to the effective dipole-dipole interaction between the…