interatomic potential 中文意思是什麼
interatomic potential
解釋
原子間勢，原子間位- interatomic : 原子間的
- potential : adj 1 可能的；【語法】可能語氣的。2 潛在的；有潛勢的；【物理學】位的，勢的。3 〈罕用語〉有力的。n...
-
Calculation of cohesive energy of alloyed austenite by interatomic pair potential
原子間相互作用對勢計算合金奧氏體結合能 -
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，並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並加以模擬研究納米晶界結構與穩定性，結果表明dft導出的相互作用函數更適合研究納米材料晶界或非晶納米合金行為，而用經驗勢能函數的模擬納米合金相變有很好的模擬結果。 -
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據導出的合適的原子相互作用勢，應用於納米材料的模擬中，研究工作主要包括三個方面： 1
分享友人