A treatment of multiscale quasistatic processes that combines an atomistic description of microscopic heterogeneous ("near") regions of a material with a coarse-grained (quasicontinuum) description of macroscopic homogeneous ("far") regions is presented. The hybrid description yields a reduced system consisting of the original atoms of the near regions plus pseudoatoms (nodes of the coarse-grai...

Evidence for human learning without awareness of what is learned has been sought in serial reaction time (SRT) tasks in which, unknown to participants, the locations of stimuli follow a particular rule or sequence (Willingham, Nissen & Bullemer, 1989). A number of criticisms have been levelled at such tasks, including a lack of adequate control for sequential effects and a discrepancy in sensit...

The minimization of the potential energy function of Lennard-Jones atomic clusters has attracted much theoretical as well as computational research in recent years. One reason for this is the practical importance of discovering low-energy conngurations of clusters of atoms, in view of applications and extensions to molecular conformation research; another reason of the success of Lennard Jones ...

Kevin D. Parrish,1 Ankit Jain,1 Jason M. Larkin,1 Wissam A. Saidi,2 and Alan J. H. McGaughey1,* 1Department of Mechanical Engineering, Carnegie Mellon University Pittsburgh, Pennsylvania 15213, USA 2Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15213, USA (Received 19 June 2014; revised manuscript received 23 October 2014; publish...

In the current research, a three-dimensional finite element model was considered to predict the mechanical behavior of Single Wall (SWCNTs) and Multi Wall Carbon Nanotubes (MWCNTs). Assuming the nonlinear elastic behavior of C-C bond in large strains, hyperelastic models were considered. Literature review revealed that the material parameters of the hyperelastic models have been determined from...

We have performed long molecular dynamics simulations of water using four popular water models, namely simple point charge ~SPC!, extended simple point charge ~SPC/E!, and the three point ~TIP3P! and four point ~TIP4P! transferable intermolecular potentials. System sizes of 216 and 820 molecules were used to study the dependence of properties on the system size. All systems were simulated at 30...

Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on the thermodynamic state. Use of the pseudoatomic Hamiltonian in a Monte Carlo simulation of the two-dimensional Lennard-Jones crystal yields equilibrium thermomechanical properties (e.g., isotropic stress...

In order to improve the description of the N-d vector analyzing powers Ay and iT11 (the so-called Ay puzzle) a spin–orbit three-body force has been introduced. The L · S term in the NN potential has been modified including a two-parameter three-body function depending on the hyperradius ρ. The modification has been performed in channels where the pair of nucleons (i, j) are coupled to spin Sij ...

A review of the properties that bond the particles under Lennard Jones Potential allow to states properties and conditions for building evolutive algorithms using the CB lattice with other different lattices. The new lattice is called CB lattice and it is based on small cubes, such the number of its vertices in a region is always greater than the number of the particles of a cluster or a region...

The previous analysis of the short-range NN repulsion originating from the Goldstone boson exchange hyperfine interaction between constituent quarks is revisited. We study in which respects the repulsion depends on the radial form of the spin-spin quark-quark force. We show that while the radial form affects the structure of the 6Q wave function, the short-range repulsion in the NN system persi...