Related papers: An Interaction Potential for Atomic Simulations of…
The objective of this work is to improve the robustness and accuracy of numerical simulations of both ideal and non-ideal explosives by introducing temperature dependence in mechanical equations of state for reactants and products. To this…
New interatomic potentials describing defects, plasticity and high temperature phase transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation temperature requires an efficient and accurate method to determine…
Atomistic modeling is a widely employed theoretical method of computational materials science. It has found particular utility in the study of magnetic materials. Initially, magnetic empirical interatomic potentials or spin-polarized…
A recently proposed technique for improving ignition timing is investigated for real-gas effects. A correction to the model describing the cumulative energy effect in the presence of the shock-discontinuity interaction was done by…
Strange metals are highly entangled gapless states of matter that exhibit anomalous transport, such as linear in temperature resistivity, over more than a decade of temperature. Why a single power law should be so robust is an open…
The non-additive three-body interaction potential for helium was computed using the coupled-cluster theory and the full configuration interaction method. The obtained potential comprises an improved nonrelativistic Born--Oppenheimer energy…
We present a systematic coarse-graining (CG) strategy for many particle molecular systems based on cluster expansion techniques. We construct a hierarchy of coarse-grained Hamiltonians with interaction potentials consisting of two, three…
A mechanism that uses the environment to enhance the probability of the nuclear reaction when a beam of accelerated nuclei collides with a target nucleus implanted in condensed matter is suggested. The effect considered is exponentially…
An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an…
We study the potential of mean force (PMF) between atomistic silica and gold nanoparticles in the vacuum by using molecular dynamics simulations. Such an investigation is devised in order to fully characterize the effective interactions…
We make a comparison between the energy levels of the hydrogen atom, calculated by using standard methods, and that by using a modified Coulomb potential due to the interaction between the magnetic moments of the proton and electron. In…
In calculating the energy corrections to the hydrogen levels we can identify two different types of modifications of the Coulomb potential $V_{C}$, with one of them being the standard quantum electrodynamics corrections, $\delta V$,…
Recently the HAL QCD Collaboration reported the $\Omega-\Omega$ and $N-\Omega$ interaction potentials by the lattice QCD simulations. Based on these results, $N\Omega$ ($^5S_2$) and $\Omega\Omega$ ($^1S_0$) bound states were predicted with…
Materials used in commercial D-T fusion reactors will be exposed to irradiation and a mixture of helium and hydrogen plasma. Modeling the microstructural evolution of such materials requires the use of large-scale molecular dynamics…
Aqueous lithium chloride solutions up to very high concentrations were investigated in classical molecular dynamics simulations. Various force fields based on the 12-6 Lennard-Jones model, parametrized for non-polarizable water solvent…
We show that the correspondence between quantum and classical mechanics can be tuned by varying the coupling strength between the cavity modes and an atom or a molecule. In the acceleration gauge the cavity-matter system is represented by…
We extend the dynamical systems analysis of Scalar-Fluid interacting dark energy models performed in C. G. Boehmer et al, Phys. Rev. D 91, 123002 (2015), by considering scalar field potentials beyond the exponential type. The properties and…
The nonperturbative nature of inter-nucleon interactions is explored by varying the momentum cutoff of a two-nucleon potential. Conventional force models, which have large cutoffs, are nonperturbative because of strong short-range…
Nuclear shape and orientation degrees of freedom are incorporated into the calculation of the double-folding nuclear potential within the relativistic mean-field (RMF) formalism. The quadrupole deformations ($\beta_2$), nuclear densities…
In this paper we consider nucleus-nucleus and hadron-nucleus reactions in the kinematic region: $g A^{1/3} G_{3\pom} \exp\Lb \Delta Y\Rb \approx 1 G^2_{3\pom} \exp\Lb \Delta Y\Rb \approx 1 $, where $G_{3\pom}$ is the triple Pomeron…