English translation for "pseudopotential"
|
- 伪势
Related Translations:
- Example Sentences:
| 1. | Study on structural stability of mg - ce intermetallic compounds based on the pseudopotential plane - wave method
化合物相结构稳定性的赝势平面波方法研究 | | 2. | The vibrational modes of batio3 and pbtio3 in different crystalline phases have been investigated by means of density functional theory pseudopotential method
采用密度泛函赝势的方法，研究了不同晶相的钛酸铅和钛酸钡的振动模式。 | | 3. | The vibrational modes of batio3 and pbtio3 in different crystalline phases have been investigated by means of density functional theory pseudopotential method
摘要采用密度泛函赝势的方法，研究了不同晶相的钛酸铅和钛酸钡的振动模式。 | | 4. | In the theoretical simulation on the behavior of single helium atom in aluminum , the varieties of energy data including the formation , migration , binding , and dissociation energies for single helium atom at the interstitial , vacancy , grain boundary , and dislocation sites in aluminum lattice were calculated , based on the density functional theories , general gradient approximation and pseudopotential plane wave method . results showed that the most fittable sites for containing helium atoms inside the cell are vacancies . but in the view of the whole lattice , grain boundaries are the best
计算结果表明，晶内he原子择优占位区是空位，而在整个晶体范围，最有利于容纳he原子的区域是晶界，位错容纳he原子的能力次于晶界和空位；在fcc -铝的间隙位中， he原子优先充填四面体间隙位；晶内间隙he原子是可动的，通过间隙he原子的运动，可在晶内聚集，或被空位、晶界、位错等缺陷束缚。 | | 5. | In this thesis , three systems , namely , perfect and defect sno _ 2 ( 110 ) surfaces , ti and ru - doped surfaces and the adsorptions of small molecules on above perfect surfaces have been studied in details by using the first - principles method with the combination of pseudopotential plane - wave and atomic basis sets . the structural stability , surface states and the surface chemistry of undoped and metal doped sno _ 2 ( 110 ) surfaces have been discussed , which can provide the theoretical rules to improve the surface properties of this special functional material
为了深入了解sno _ 2表面的电子结构本质及其化学反应性质,本论文采用赝势平面波和原子轨道基组相结合的第一性原理方法,详细考察了三种类型体系,即sno _ 2 ( 110 )完整和缺陷表面、 ti和ru掺杂表面、以及典型小分子在上述完整表面的吸附,揭示了sno _ 2 ( 110 )及其金属掺杂表面的构型稳定性、表面态及其对表面化学反应性的影响,为该类型表面功能材料的改性提供理论依据。 |
- Similar Words：
- "pseudoporphyritic texture" English translation, "pseudoporphyritie" English translation, "pseudoporphyroblastic structure" English translation, "pseudopositive schick reaction" English translation, "pseudopositor" English translation, "pseudopotential method" English translation, "pseudoprecocious puberty" English translation, "pseudopregnancy" English translation, "pseudopressure" English translation, "pseudopriacanthus" English translation
|
|
|
