Sentence examples for simulations for the first time from inspiring English sources

Furthermore, the average volume involved during atomic jumps for boundary migration is determined in MD simulations for the first time.

Chain exchange kinetics between triblock block copolymers of ABA-type with end block being soluble in solvent is investigated using dissipative particle dynamics simulations for the first time.

Membrane selectivity and gas permeability of bio-MOFs were computed considering flexibility of the structures in molecular simulations for the first time in the literature.

Presently, an in silico modeling was carried out on a large series of 263 PKCθ inhibitors using 3D-QSAR, molecular docking and molecular dynamics (MD) simulations for the first time.

Experimental measurements of the pressure drop across porous metals have been compared with computational fluid dynamics simulations, for the first time, for structures typified by large pores with small interconnecting "windows".

Then I spent a year in Ireland, at the chemistry department of Trinity College, Dublin, where I was doing computer simulations for the first time.

A flowing stream of argon gas is described by numeric simulation for the first time.

Self-diffusion and mutual diffusion of CO2 CH4 mixture are investigated through molecular simulation for the first time.

The diffusion parameters of an interstitial solute in iron are obtained by MD simulation for the first time.

By choosing an extremely large domain, we have obtained a truly free growth simulation for the first time for a non-isothermal dendrite.

The new algorithm consists of two time steps is a simulation cycle: a Lagrangian convection simulation for the first time step and a diffusion simulation through the use of new vortex points at dixed Eulerian mesh points for the second time step.