Dynamics and Thermodynamics of Nanoclusters

Biosorption of cobalt (II) by Inta ct and Chemically Modified Brown Algae: Optimization Using Resp onse Surface Methodology and Equilibrium, Dynamics and Thermodynamics Studies

Dynamics and Thermodynamics Analysis of Tropical Cyclone Haiyan

Tropical cyclone Haiyan (TCH) that formed over the West Pacific Ocean during 3-11 November 2013 has been investigated using three datasets produced by Japan Meteorology Agency, ECMWF and NCEP. Strength of TCH has been studied using two synoptic parameters of 10-m wind velocity and mean sea level pressure (MSLP). Following, three dynamic parameters including vertical wind shear (VWSH) vector, he...

Planar Molecular Dynamics Simulation of Au Clusters in Pushing Process

Based on the fact the manipulation of fine nanoclusters calls for more precise modeling, the aim of this paper is to conduct an atomistic investigation for interaction analysis of particle-substrate system for pushing and positioning purposes. In the present research, 2D molecular dynamics simulations have been used to investigate such behaviors. Performing the planar simulations can provide a ...

Melting and Structural Evolution of Palladium and Graphite-supported Palladium Nanoclusters: A Molecular Dynamics Simulation Study

The thermal behavior of palladium nanoclusters of different sizes, in free space and on a graphite surface, was studied using molecular dynamics simulations. The Sutton-Chen many-body potential function was utilized for the metal, and the structured graphite surface was represented by a simple Lennard-Jones model. Changes in thermodynamic and structural properties upon heating and cooling in th...

Isothermal Titration Calorimetry and Molecular Dynamics Simulation Studies on the Binding of Indometacin with Human Serum Albumin

Human serum albumin (HSA) is the most abundant protein in the blood plasma. Drug binding to HSA is crucial to study the absorption, distribution, metabolism, efficiency and bioavailability of drug molecules. In this study, isothermal titration calorimetry and molecular dynamics simulation of HSA and its complex with indometacin (IM) were performed to investigate thermodynamics parameters and th...