Dynamics heterogeneity

This work presents a molecular dynamics simulation (MDS) of CaSiO3 glass using Born–Mayer–Huggins potentials. The structural organization and structural phase transition under compression as well as network structure of CaSiO3 are clarified through analysis and visualization of molecular dynamics simulation data.

11p tamynhan9 02-12-2020 14 3   Download

In our study, we used molecular dynamics simulation (MD) to study diffusion mechanism in liquid MgO at a temperature of 3800K at a pressure ranging from 0 to 25 GPa. The calculated results and analysis of dynamical properties, spatially heterogeneous dynamics and diffusion mechanisms in MgO liquids will be reported in detail in this work.

10p tamynhan8 04-11-2020 14 3   Download

To clarify the local environment of atoms, we apply the oxygen simplex (OS) which is characterized by the size, forming oxygen atom types and the number of sodium atoms located inside the OS. The simulation shows that the liquid comprises the Si-O network and sodium atoms are distributed through different OS types forming by four O atoms.

8p tamynhan6 14-09-2020 12 1   Download

The heterogeneity of peroxisomal matrix proteins which are imported in a folded, even oligomeric state, requires adaptive and dynamic properties of the translocation machinery. Dynamic multicompartmental subcellular dis-tribution of peroxisomal proteins is governed by the accessibility of target-ing signals. Conformational changes of peroxisomal targeting receptors upon cargo-binding might serve as a docking ‘quality control’.

11p viettel02 19-02-2013 42 2   Download