1.
Microstructure and Mechanical Properties of Hot-Deformed and Heat-Treated Aermet100 Steel and Its First-Principles Characterization
AerMet100钢热变形行为与热处理组织性能及其第一性原理表征
2.
First-principles characterization on mechanical properties of phases produced during lower temperature nitriding for nanocrystallized 3J33 steel
纳米化3J33钢低温渗氮生成相性能第一性原理表征
3.
First-principle characterization on phases produced during RE nitrocarburizing of nanocrystallized 3J33 steel
纳米化3J33钢稀土氮碳共渗生成相第一性原理表征
4.
First-principle Study on Adsorption of GaN on Surface of Si
Si表面吸附GaN的第一性原理研究
5.
First-principles Calculation of Electronic Structures of Cu(111) Surface
Cu(111)表面原子和电子结构的第一性原理计算
6.
First-principles Study of Surface Adsorption on Ni and GaP;
镍与磷化镓表面吸附特性的第一性原理研究
7.
Ab Initio Study of the Hydrogen-covered Diamond (001) Surface;
氢终止金刚石（001）表面的第一性原理研究
8.
First-principles study of the interaction between molecules and a gold surface;
分子和金表面相互作用的第一性原理研究
9.
First-principle theory on the relaxation configurations and electronic structures of Si(001) surface
Si(001)面弛豫表面构型与电子结构的第一性原理
10.
First-principles Studies for the Adsorption of Sulfur and CO on Transition Metal Surfaces
S原子和CO分子在过渡金属表面吸附的第一性原理研究
11.
First-principles study of atomic and electronic structures of the silicon oxide clusters on Si(001) surfaces
Si(001)表面硅氧团簇原子与电子结构的第一性原理研究
12.
First-principle Calculations on Adsorption of Li on Si(001)-2×1 Reconstruction Surface
Si(001)-2×1重构表面吸附锂原子的第一性原理研究
13.
First-Principles Research on N/F-Doped and N-F-Codoped TiO_2(101) Surfaces
N/F掺杂及N-F共掺杂TiO_2(101)表面特性的第一性原理研究
14.
The Structure and Mechanical Property of Ti-Si-N Like Superhard Coatings: First Principle Studies
Ti-Si-N类超硬表面的结构和力学性能的第一性原理计算
15.
First Principles Calculation of Helium in Titanium Crystals
He原子在金属Ti中的第一性原理计算
16.
First-Principles Study on Surface Kinetics and Metallic Quantum Well Systems;
表面动力学和金属量子阱系统的第一性原理研究
17.
Electronic Structures of SnO_2(110)doped Surface and Adsorptions of Small Molecules: A First-principles Study;
SnO_2（110）掺杂表面电子结构及其吸附小分子的第一性原理研究
18.
Principles on the Standardization of Variant Forms of Chinese Characters: On the First Collated List of Variants of Chinese Characters (Draft);
异形词规范的三个基本性原则——评《第一批异形词整理表(草案)》