sub-cluster

In the co mposite,ionic bonds and ionic clusters formed by io nic bonds easily became relaxation under stress or heat,causing thelarger elongation and the permanent set,and making some contributi.

认为离子键及其所形成的离子簇易于在外力和热的作用下松弛,使材料的伸长率和永久变形增大,高温性能下降,同时也对材料的常温强度产生贡献。

The results show that the solvation number m,water molecules arrested in ionic clusters,increases with the increases of the original mole concentration of LiBr and then decreases slightly when the mole concentration is higher than 0.

03时m>n,离子溶剂化作用形成的离子簇包含的水分子多于氨分子;溶剂化作用后水的含量高于作用前的,但前后差值随LiBr初始摩尔分数升高而减小;随着温度的升高,m降低,n升高,离子吸引水分子的能力减弱而吸引氨分子的能力升高;完全电离的溶剂化模型只在LiBr的初始摩尔分数小于0。

Density functional theory study of C_nX(n=1～4,X=Li,Be,B,N,O,F)clusters;

C_nX(n=1~4,X=Li,Be,B,N,O,F)原子簇的理论研究

A theoretical study of Si_(5-m)X_m(m=1～4,X=B,C,N,P) clusters;

Si_(5-m)X_m(m=1~4,X=B,C,N,P)原子簇结构的理论研究

Theory study on stable structure and properties of cluster Fe_4BP;

原子簇Fe_4BP稳定结构与性质的理论研究

The binding energy, binding pattern, electronic structure and dissociation channel have been explored, in comparison with the previous study of chlorine binding to silver clusters.

应用密度泛函理论计算方法研究了气相中的单个的F,Br,I原子吸附在中性和带正、负电荷的银原子团簇上的平衡几何构型AgnX0,±1(X=F,Br,I)、吸附能、电荷转移量以及碎片化模式,并与先前研究过的氯原子在银原子簇上的吸附做了对比。

Investigations on the ordering and atom clustering in aged binary Al-Li alloy have been carried out by computer simulation.

通过计算机模拟对铝锂合金时效过程中的有序化和原子簇聚进行了研究。

Density Functional Theory Study of PdSi_n(n=1~5) Clusters;

PdSi_n(n=1~5)原子簇结构的理论研究

Kinetic Model for the Statistical Distribution of Atomic Clusters;

原子簇离子产生的动力学方程与分布函数

Silicon Clusters Synthesized by the Thermal Decomposition of Silicane;

硅烷热分解制备硅原子簇