interatomic

interatomic

1. (2) Atomic Structure and Interatomic Bonding.

(2)原子结构与原子间的键结。

2. Lennard - Jones interatomic potential

Lennard-Jones势

3. Keywords ab initio calculation method;semi-empirical interatomic pair potential;Austenite structure;cohesive energy;

从头计算方法;半经验对势;奥氏体结构;结合能;

4. INTERATOMIC POTENTIALS FOR COMPUTER SIMULATION OF CONDENSED MATTERS

凝聚态物质计算和模拟中使用的相互作用势

5. Keywords molecular dynamics;finite difference technique;interatomic potential;equilibrium ensemble;

分子动力学;有限差分法;原子间作用势;平衡态系综;

6. Tables of interatomic distances and confijuration in molecules and ions

分子及离子中的原子间距与位形表

7. semi-empirical interatomic pair potential

半经验对势

8. Even the jostling from the surrounding carbon atoms, which electrons in graphene must endure at room temperature, is relatively small because of the high strength of the interatomic bonds.

即使石墨薄膜中的电子在室温下必须承受来自周围碳原子的挤压，其力道也相当小，因为原子间的键结力相当强。

9. 5. Interatomic forces were considered as a function of the separation of atoms.

原子之间相互作用的力被认为是原子间距离的函数。

10. Keywords Interatomic potential;Collision experiment of crossed atomic beams;Elastic differential cross section;Inversion scattering theory;

原子相互作用势;原子束交叉碰撞实验;弹性散射微分截面;反散射理论;

11. interatomic bonding force

原子键力

12. interatomic interference

原子间(的)干 涉

13. atomic interatomic potentials

原子间作用势

14. interatomic Auger process

原子间俄歇过程

15. interatomic force

原子间力

16. Interatomic potential functions are crucial in cluster research.

原子间势函数在团簇结构和性质的理论研究中十分重要。

17. interatomic attractive force

原子间吸引力

18. interatomic diamagnetic current

原子间抗磁性电流

19. Interatomic interaction

原子间相互作用

20. interatomic potentials

原子间相互作用势

21. Keywords interatomic potentials;site preference;lattice dynamics;

原子间相互作用势;择优占位;晶格动力学;

22. Keywords Interatomic potentials;Phase stability;Site preference;Curie temperature;

原子间相互作用势;相稳定性;择优代位;居里温度;

23. Calculation of cohesive energy of alloyed Austenite by interatomic pair potential

原子间相互作用对势计算合金奥氏体结合能

24. interatomic spacing

原子间距离 原子间距(离)

25. interatomic distance

原子间距离

26. interatomic bond

原子间键

27. Keywords antiphase boundary;site preference;interatomic potential;

反相畴界;择优代位;原子间相互作用势;

28. Keywords cluster;interatomic potential function;optimization algorithm;molecular dynamics simulation;

团簇;原子间势函数;优化算法;分子动力学模拟;

29. Interatomic Potential Function in Cluster Research

团簇研究中的原子间势函数

30. Interatomic many-body potential model in metal[J].

引用该论文 文玉华,朱梓忠,邵桂芳.

31. STUDY OF INTERATOMIC POTENTIAL AND EQUATION OF STATE ON CRYSTAL

晶体原子间相互作用势和物态方程研究

32. atom structure and material properties;crystal structure and interatomic bonding;

晶体结构、键结方式与键结能量；

33. Small interatomic distances encountered: 2 1 NaN Atoms too close.Error termination via Lnk1e in /home/...

最近给同学优化一个比较大的分子，总是不能优化好，报错L202，却不知道怎么调整初始结构。

34. In present work, the universal interatomic potentials have been introduced, such as the pair-potentials model including hard-sphere model, Buckingham potentials, Lennard-Jones potentials, Morse potentials, Born-Mayer potentials etc .

本文对材料计算中广泛使用的等效的原子间相互作用对势进行了概述，介绍了刚球模型、Buckingham势、Lennard-Jones势、Morse势、Born-Mayer势和它们的应用。

35. We have calculated interatomic charge density overlap integrals of all homogeneons rare gases in this paper.

本文对相同稀有气体原子间电荷密度的重叠积分进行了全面计算。

36. A direct calculation for interatomic matrix elements is carried out on the basis of valencewave functions of single STO and the main parameters of BOM are thus obtained.

本文用单个STO拟合的价波函数计算了原子间相互作用的矩阵元,从而得到表征键轨道的各主要参数。

37. THE ENERGY AND MOMENTUM OF A KINK SOLITON IN HYDROGENBONDED MOLECULAR CHAIN WITHIN THE ANHARMONIC INTERATOMIC INTERACTIONS

氢键分子链中原子间非谐相互作用下扭结孤子的能量和动量

38. Keywords Fe;helium;interatomic potential;molecular dynamics;

氦;作用势;分子动力学;

39. Keywords pyrochlore;lattice distortion;interatomic action force;

焦绿石;晶格畸变;原子间作用力;

40. Due to the weak strength of interatomic forces, the surface first appears the premelting behavior.

由于表面层原子的结合力较弱，在升温过程中表面会首先出现预熔；

41. DETERMINATION OF INTERATOMIC DISTANCE FUNCTION OF RARE-EARTH CIS-1, 4-POLYBUTADIENE BY RADIAL DISTRIBUTION FUNCTIONS DERIVED FROM ELECTRON DIFFRACTION

电子衍射径向分布函数测定稀土顺1,4聚丁二烯的原子间距分布

42. Temperature Dependence of Volume Thermal Expansion Coefficient, Bulk modulus and Interatomic Separation for

离子型固体的体积热膨胀系数,体积模量和原子间距与温度的函数关系

43. Application of Monte Carlo Methods in Interatomic Many-body Potential Model

蒙特卡罗方法在原子间多体势拟合中的应用

44. Mobile dislocations meet some obstacles, then appear stress concentration .When the stress becomes greater than interatomic bonding force ,cracks nucleate, propagate, finally lead to fracture .

运动的位错遇到了某种障碍,就产生了应力集中,应力大到可以破坏原子间的键合力时,裂纹开始形核,裂纹长大导致断裂.

45. Interatomic Potentials in Metal and Alloy

金属及合金中的原子间相互作用势

46. Interatomic many-body potential model in metal

金属的原子间多体势模型及其拟合方法

47. Keywords Al-Li alloy;precipitation mechanisms;interatomic interactions energy;microstructure;fracture mechanisms;mechanical properties;

铝锂合金;沉淀机制;原子间相互作用势;微观组织;断裂方式;宏观性能;

48. The Interatomic Interaction in High Density Gas of Xenon and Its Equation of State

高密度氙气的原子间相互作用与状态方程

49. The Interatomic interaction in high density gas of argon and its equation of state

高密度氩气的原子间相互作用与状态方程

50. J.Tersoff, Modeling solid-state chemistry: Interatomic potentials for multicomponent systems.Physical Review B 39, 5566-5568 (1989).

黄闵义，以分子动力学方法模拟在温度与尺寸变异下的单壁奈米碳管杨氏系数之研究，国立成功大学硕士论文，2006。

51. It is still used occasionally for measurements of wavelength or interatomic distance.

（千分之一微米，十分之一纳米）现在仍被用来测量波长和原子间的距离。