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.
the molecular dynamics simulation method has been used to study the relation between the melting temperature and the cohesive energy of pb nanofilms.
本文利用分子动力学方法研究了铅纳米薄膜的熔化温度与结合能的关系。
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.
通过引入描述纳米微粒形状效应的形状因子,建立了金属纳米微粒尺寸形状效应的结合能函数与熔化温度函数。
it is found that the relation between the melting temperature and the cohesive energy of bulk materials can be used to nanomaterials, but the coefficient depends on the height of nanofilms.
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.
根据熔解温度与结合能的关系,推导出了一个计算自由表面纳米微粒熔解温度的公式;
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.
study on liquid cohesive energy based on group contribution method;
用统计热力学方法建立了一个液体内聚能模型 。
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.
the results showed that the higher the chlorinity, the higher the tg temperature of cpe, as well as the cohesive energy density and solubility parameter that had relation to intermolecular force;
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.
after heat-calendering, glass transition temperature of paper-based aramid fibre is heightened with its increase of the cohesive energy density and crystallinity.