Solid-state amorphization observed in the equilibrium-immiscible Cu-Re system by molecular dynamics simulations

Article Abstract:

Molecular dynamics (MD) is undertaken to investigate the interfacial stability and the solid-state reaction of the Cu-Re multilayered films at an atomic scale. The simulations reveal that the interfacial free energy stored in the Cu/Re interfaces plays an important role in facilitating the spontaneous solid-state amorphization and that the amorphous interlayer grows in a layer-by layer mode featuring an asymmetric behavior.

---

Molecular dynamic simulations of eicosanoic acid and 18-methyleicosanoic acid Langmuir monolayers

Article Abstract:

The comparison of the properties of Langmuir monolayers of 18-methyleicosanoic acid (18-MEA) and the parent material, eicosanoic acid (EA) is done by using molecular dynamics simulations. Findings reveal that the presence of the methyl group at the 18-position in 18-MEA makes unique intermolecular structural correlations compared to EA.

Mechanical properties, Structure, Methyl groups, Eicosanoic acid, Methyl compounds

---

A different diffusion mechanism for drug molecules in amorphous polymers

Article Abstract:

Molecular dynamics simulations are used to investigate the diffusion behavior of a model drug in different ratios of poly(lactic acid-co-ethylene glycol) (PLA-PEG). The comparison of the diffusion behavior of small gas molecules in polymer matrix has led to the development of a different mechanism for the drug molecules.

Polymers

Similar abstracts:

• Abstracts: Coarse master equation from Bayesian analysis of replica molecular dynamics simulations
• Abstracts: Phosphorylation reaction in cAPK protein kinase-free energy quantum mechanical/molecular mechanics simulations
• Abstracts: Structural disorder of the CD3[zeta] transmembrane domain studied with 2D IR spectroscopy and molecular dynamics simulations
• Abstracts: Effective Hamiltonian models and unimolecular decomposition. The Landau-Zener formula
• Abstracts: Heterogeneous surface crystallization observed in undercooled water. Redox-induced surface stress of polypyrrole-based actuators

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.