1 If the cohesive energy of the impurities is higher than that of the substrate ones or the doped atoms are bigger than the substrate ones, surface energy will be larger.

2 The solubility parameters derived from the cohesive energy density (CED) of each amorphous cell system at different co-melting temperatures were calculated with the molecule modeling analysis module.

3 The dependence of amorphous polymer cohesive energy density on temperature is studied.

4 By introducing a shape factor, the functions on cohesive energy and melting temperature are developed which can describe thee effect of size and shape of metallic nanoparticles.

5 After that the density, diffusion coefficient, cohesive energy density, freezing point and viscosity of JP-10 and quadricyclane were simulated. The results show good agreements with literature data.

6 The cohesive energy is found to be significantly lowered by dissolved hydrogen.

7 The lattice constants and cohesive energy of the alloys were calculated,[] which agree well with the experimental data.

8 The nearest atomic distance and cohesive energy of cubic and spherical Au nanoparticles were studied by the tight binding molecular dynamics method.

9 In this paper, the Bond Energy (BE) model is generalized to account for the cohesive energy of metallic clusters by considering the contributions of interior, surface, edge and vertex atoms.

10 A model account for the size, shape and structure dependent cohesive energy of metallic nanoparticles.

11 The reason why A have a low peel strength is the lower cohesive energy of A.

12 And both variation quantities of the nearest atomic distance and cohesive energy of the spherical particles are lower than those of cubic ones.

13 By fitted the simulation results, it is found that the shape effect can lead to 2% of the total nearest atomic distance variation and 15% of the total cohesive energy variation.

14 The molecular dynamics simulation method has been used to study the relation between the melting temperature and the cohesive energy of Pb nanofilms.

15 For the nanoparticles in fcc structure, both the nearest atomic distance and cohesive energy decrease with decreasing particle size for a certain particle shape.

16 A formula has been derived to account for the melting temperature of free surface nanoparticles based on the relationship between the cohesive energy and the melting temperature of solids.