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1.
Enhanced Conductivity and High Thermal Stability of W-Doped SnO
2
Based on First-
Principle
Calculation
s
作者:
C. Z. Chen
;
N. Y. Wen
;
H. J. Chen
;
Y. Li
;
C. B. Cai
关键词:
SnO2
;
First
principle
;
Conductivity
;
Thermal stability
刊名:Brazilian Journal of Physics
出版年:2017
2.
Variational
principle
for stars with a phase transition
作者:
A. V. Yudin
;
T. L. Razinkova
;
D. K. Nadyozhin
关键词:
stability of stars
;
phase transition
;
variational
principle
刊名:Astronomy Letters
出版年:2017
3.
Electronic, optical and magnetic properties of TM (Cr and Fe) doped Titania TiO
2
: Ab initio
calculation
s, mean field approximation and Monte Carlo simulation
作者:
El Mehdi Salmani
;
Ayoub Laghrissi
;
Rachida Lamouri…
关键词:
First
;
principle
s
calculation
;
Self
;
interaction correction
;
TiO2
;
Monte Carlo approach
刊名:Optical and Quantum Electronics
出版年:2017
4.
Electronic and optical properties of CuGaS
2
nanowires: a study of first
principle
calculation
s
作者:
Payman Nayebi
;
Mohsen Emami-Razavi
;
Esmaeil Zaminpayma
关键词:
Computational Methods
刊名:The European Physical Journal B
出版年:2017
5.
Phase diagram
calculation
and predication of Au–Pd–Zr ternary system
作者:
Jie Yu
;
Lin-Jing Liu
;
Shou-Dong Chen
;
Jing-Chao Chen
关键词:
Calculated phase diagram
;
Ternary alloy
;
Thermodynamic
;
Phase transformation
;
Annealing
刊名:Rare Metals
出版年:2017
6.
Enhanced visible-light response of metal-free doped bulk h-BN as potential efficient photocatalyst: a computational study
作者:
Fang Wang
;
Yuehan Cao
;
Shiqian Wei
;
Ying Zhou
关键词:
Bulk h
;
BN
;
First
principle
calculation
;
Metal free doping
;
Visible
;
light response
刊名:Journal of Molecular Modeling
出版年:2017
7.
First-
Principle
Study on Compensated Half Metallic Double Perovskite Compound
B
a
2
P
r
V
O
6
作者:
Qiang Gao
;
Run-Yu Ma
;
Lei Li
;
Huan-Huan Xie…
关键词:
Oxides
;
Magnetic materials
;
Electronic structure
;
Magnetic properties
;
Thermodynamic properties
刊名:Journal of Superconductivity and Novel Magnetism
出版年:2017
8.
The second envelope method of point-vector and its application on worm wheel grinding modified gear
作者:
Kun He
;
Guolong Li
;
Xianguang Li
关键词:
Modified gear
;
Point
;
vector
;
Profile
calculation
;
Second envelope
;
Worm wheel grinding
刊名:The International Journal of Advanced Manufacturing Technology
出版年:2017
9.
Experimental and numerical investigation on galling behavior in sheet metal forming process
作者:
Wenzheng Dong
;
Ling Xu
;
Qiquan Lin…
关键词:
Galling behavior
;
Finite element modeling (FEM)
;
Contact pressure
;
Sliding distance
;
First
;
principle
s
calculation
刊名:The International Journal of Advanced Manufacturing Technology
出版年:2017
10.
Interaction potential and friction of hydrogenated diamond surfaces at the atomic scale: first-
principle
calculation
作者:
Naichao Chen
;
Yingchao Chen
;
Jun Ai
;
Ping He
;
Qunzhi Zhu…
刊名:Journal of Materials Science
出版年:2017
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