The Taffy Galaxies system, UGC 12914/5, contains huge amounts of molecular gas in the bridge region between the receding spirals after a direct collision. 2 − 9 × 10M⊙ of molecular gas is present between the galaxies, more than the CO emission from the entire Milky Way! Such dense gas can only be torn off by collisions between dense clouds, in this case with relative velocities of about 800 kms...

This paper proposes a hybrid chemical-reaction optimization (HCRO) algorithm for solving the job-shop scheduling problem with fuzzy processing time. The flexible maintenance activities under both resumable and non-resumable situations are also considered to make the problem more close to the reality. In the proposed algorithm, each solution is represented by a chemical molecule. Four elementary...

We have investigated the folding pathway of the 36-residue villin headpiece subdomain (HP-36) by action-derived molecular dynamics simulations. The folding is initiated by hydrophobic collapse, after which the concurrent formation of full tertiary structure and alpha-helical secondary structure is observed. The collapse is observed to be associated with a couple of specific native contacts cont...

Molecular beam and spectroscopic techniques allow detailed study of many dynamical properties of single reactive collisions. The chemical scope of these methods is now very wide and includes certain unimolecular and termolecular reactions as well as bimolecular reactions and energy transfer processes. Results for more than 50 families of A + BC — AB + C atom transfer reactions reveal simple imp...

Accurate simulation and control of nanoparticle aggregation in chemical reactors requires that population balance equations be solved by using realistic expressions for aggregation and breakage rate kernels. Obtaining such expressions requires that atomistic simulation approaches that can account for microscopic details of particle collisions be used. In principle, molecular dynamics simulation...

Electronically nonadiabatic or non-Born-Oppenheimer (non-BO) chemical processes (photodissociation, charge-transfer, etc.) involve a nonradiative change in the electronic state of the system. Molecular dynamics simulations typically treat nuclei as moving classically on a single adiabatic potential energy surface, and these techniques are not immediately generalizable to non-BO systems due to t...

The interstellar reaction of ground-state carbon atom with the simplest polyyne, diacetylene HCCCCH , is investigated theoretically to explore probable routes to form hydrogen-deficient carbon clusters at ultralow temperature in cold molecular clouds. The isomerization and dissociation channels for each of the three collision complexes are characterized by utilizing the unrestricted B3LYP/6-311...

Semi-classical molecular dynamics simulations of small rare gas clusters in short laser pulses of 100nm wavelength were performed. For comparison, the cluster response to 800nm laser pulses was investigated as well. The inner ionization dynamics of the multi-electron atoms inside the cluster was treated explicitly. The simulation results underpin that at XUV wavelengths collisions play an impor...

Through the analysis of individual chain dynamics alongside the corresponding molecular structures under shear via nonequilibrium molecular dynamics simulations of C178H358 linear and short-chain branched polyethylene melts under shear flow, we observed that the conventional method based on the chain end-to-end vector (and/or the gyration tensor of chain) is susceptible to quantitatively inaccu...

Development of disaggregate models for estimating different property damage collision type frequencies in urban intersections has rarely been studied, particularly in Iran. It seems very little research work being implemented for studying the effect factors on collision type frequency at intersections. The main objective of this paper is to develop suitable statistical models to predict types o...