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TranslationMobile

原子間勢，原子間位
原子間位

"potential" in Chinese : adj. 1.可能的；【語法】可能語氣的。 2.潛在的； ...
"interatomic" in Chinese : 原子間的
"interatomic bond" in Chinese : 原子間鍵
"interatomic collisions" in Chinese : 原子間碰撞
"interatomic disance" in Chinese : 原子間距離
"interatomic distance" in Chinese : 原子間距離
"interatomic force" in Chinese : 原子間力
"interatomic forces" in Chinese : 原子間力
"interatomic interference" in Chinese : 原子間干涉
"interatomic linkage" in Chinese : 原子間聯(lián)結
"interatomic separation" in Chinese : 原子間距
"interatomic spacing" in Chinese : 原子間距離
"interatomic bonding force" in Chinese : 原子鍵力
"interatomic diamagnetic current" in Chinese : 原子間抗磁性電流
"potential" in Chinese : adj. 1.可能的；【語法】可能語氣的。 2.潛在的；有潛勢的；【物理學】 ...

Examples

In the paper , we develop a appropriate interatomic potential via density functional theory ( dft ) , simulate well in nanoscale material system . there are three sections in this paper . 1
本文試圖用從頭算數(shù)據(jù)導出的合適的原子相互作用勢，應用于納米材料的模擬中，研究工作主要包括三個方面： 1
3 . metal supported on ti02 ( 110 ) : calculation and simulation chapter 4 , the properties of k , cu supported on the tio2 ( 110 ) surface have been studied by means of density functional theory , bare clusters models and embedded cluster model to using to obtain dft data and construct interatomic potential
3 .納米二氧化欽負載金屬體系的計算模擬研究我們對納米金紅石型tio :吸附k 、 cu金屬原子進行了dft研究，并模擬了金屬在納米金紅石型tio :表面的吸附行為，解釋了納米金屬簇在金紅石型tio :表面吸附的行為，預測了納米金屬團簇在表面生長的機理。
Computational simulation in nano size alloy system chapters , we applied an approach to the development of many - body interatomic potentials for niti , nizr alloys , the database used for the development of a potential includes both experimental data and a large set of energies of different structures of the material generated by dft calculations . the molecular dynamic simulation results prove the structure change in nano materials grain size
納米合金體系的計算模擬通過用dft詳細地對niti二元合金簇的研究導出其原子間相互作用并加以模擬研究納米晶界結構與穩(wěn)定性，結果表明dft導出的相互作用函數(shù)更適合研究納米材料晶界或非晶納米合金行為，而用經驗勢能函數(shù)的模擬納米合金相變有很好的模擬結果。