期刊文献+
共找到3篇文章
< 1 >
每页显示 20 50 100
Interaction potential of two nonidentical ground-state atoms
1
作者 Yan Peng Shijing Cheng Wenting Zhou 《Communications in Theoretical Physics》 SCIE CAS CSCD 2023年第8期100-110,共11页
We study the interaction potential of two nonidentical ground-state atoms coupled to a scalar field in a vacuum by separately calculating the contributions of vacuum fluctuations and those of the radiation reaction of... We study the interaction potential of two nonidentical ground-state atoms coupled to a scalar field in a vacuum by separately calculating the contributions of vacuum fluctuations and those of the radiation reaction of the atoms.Both cases of atoms in a free space and in parallel or vertical alignment to a reflecting boundary are considered.For the former case,we find that the leading-order interaction potential in the regionλA?L?λB exhibits the same separationdependence as that in the region L?λA?λB,where L,λA andλB are respectively the interatomic separation and the transition wavelengths of two atoms withλA?λB.For the latter case,we find that boundary-induced modifications are very remarkable when L?z,with z characterizing the separation between the two-atom system and the boundary.Particularly,when L further satisfies L?λA and L?λB,the interaction potential in the parallel-and the verticalalignment cases respectively scales as z4L-7 and z2L-5,the L-dependence of which is one order higher than those of two atoms in regions where L?z and meanwhile L?λA or/and L?λB.Our results suggest that retardation for the interaction potential of two nonidentical atoms with remarkably distinctive transition frequencies happens only when the interatomic separation is much greater than the transition wavelengths of both atoms. 展开更多
关键词 boundary effects interatomic interaction potential nonidentical atoms with remarkably distinctive transition frequencies
原文传递
The ternary Ni–Al–Co embedded-atom-method potential for γ/γ Ni-based single-crystal superalloys: Construction and application 被引量:1
2
作者 杜俊平 王崇愚 于涛 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第3期224-231,共8页
An Ni-AI-Co system embedded-atom-method potential is constructed for the γ(Ni)/γ'(Ni3A1) superalloy based on experiments and first-principles calculations. The stacking fault energies (SFEs) of the Ni(Co, A1... An Ni-AI-Co system embedded-atom-method potential is constructed for the γ(Ni)/γ'(Ni3A1) superalloy based on experiments and first-principles calculations. The stacking fault energies (SFEs) of the Ni(Co, A1) random solid solutions are calculated as a function of the concentrations of Co and A1. The calculated SFEs decrease with increasing concentrations of Co and A1, which is consistent with the experimental results. The embedding energy term in the present potential has an important influence on the SFEs of the random solid solutions. The cross-slip processes of a screw dislocation in homogenous Ni(Co) solid solutions are simulated using the present potential and the nudged elastic band method. The cross-slip activation energies increase with increasing Co concentration, which implies that the creep resistance of γ(Ni) may be improved by the addition of Co. 展开更多
关键词 interatomic interaction potential embedded-atom method Ni-based single-crystal superalloys
下载PDF
稀有气体二聚体解析势能函数的高精度拟合 被引量:2
3
作者 王裕平 王涛玉 +2 位作者 李莹莹 陈钰竹 林哲民 《原子与分子物理学报》 CAS 北大核心 2021年第2期38-42,共5页
原子间相互作用势的计算是原子分子物理研究领域的重要组成部分,它的精确计算为新型材料的研究奠定了理论基础;同时也为密度泛函等方法的评价、测试提供了标准对比数据.本文首先以最近所发表的Ng D×15基准集为基础,在相同的计算方... 原子间相互作用势的计算是原子分子物理研究领域的重要组成部分,它的精确计算为新型材料的研究奠定了理论基础;同时也为密度泛函等方法的评价、测试提供了标准对比数据.本文首先以最近所发表的Ng D×15基准集为基础,在相同的计算方法下补充了其它点的一系列数据;以此为标准利用最小二乘法对He_(2)—Rn_(2)体系的相互作用势函数进行了拟合;从而得到了高精度全部同核稀有气体二聚体相互作用势函数的解析式.同时以CCSD(T)/aug-cc-p V5Z-{6s6p6d3f2g1h}计算结果为标准与Gordon的MGCD84数据库中现有He2-Kr2体系的相互作用势数据进行了比较;总体发现本文的计算精度是非常高的,也证明了拟合结果的可靠性;并且给出了目前量子化学方法难以计算的近核区相互作用势数值. 展开更多
关键词 原子间相互作用势 稀有气体二聚体 Ng D×15基准集 CCSD(T) MGCD84数据库
下载PDF
上一页 1 下一页 到第
使用帮助 返回顶部