|
|
|
|
|
José Miguel Rodrigues
The timely and precise prediction of flooding progression and its eventual outcome in ships with breached hulls can lead to dramatic improvements in maritime safety through improved guidance for both emergency response and ship design. The traditional ap...
ver más
|
|
|
|
|
|
|
|
|
|
|
Riku Okumura, Takeo Oku, Atsushi Suzuki, Masanobu Okita, Sakiko Fukunishi, Tomoharu Tachikawa and Tomoya Hasegawa
First-principles electronic band calculations were used to investigate the effects of alkali metals and organic cations added to Cu-based perovskite solar cells. The copper d-orbital band was slightly above the valence-band maximum and functioned as an a...
ver más
|
|
|
|
|
|
|
|
|
|
|
Zeying Bao and Fulin Shang
The ideal mechanical shear properties and sliding characteristics of c-ZrO2(001)/a-Al2O3(11¯02" role="presentation">11_0211¯02
1
1
¯
02
) interfaces are examined through simulated shear deformations using first-principles calculations. We invest...
ver más
|
|
|
|
|
|
|
|
|
|
|
Chao Chen, Junfa Wang, Yiyuan Ge and Lili Ma
The structural and elastic properties of (Fe, Cr, W)7C3 were investigated by first principles.
|
|
|
|
|
|
|
|
|
|
|
Hsin-Yi Liu and Jhao-Ying Wu
The transition metal (TM)-absorbed germanene systems enriched by strong chemical bonding are investigated using first-principles calculations. Dedicated calculations include the geometry, preferable adsorption sites, atom-dominated band structure, spin?d...
ver más
|
|
|
|
|
|
|
|
|
|
|
Zifeng Li, Guotan Liu, Guanqi Liu, Xiaoshuo Zhu and Yudong Fu
Nb-Si-C thin films were deposited onto Si(001) substrates by radio frequency (RF) magnetron sputtering using individual Nb, Si, and C targets. The effects of varying the sputtering power on the phase composition of the new thin films were studied. The st...
ver más
|
|
|
|
|
|
|
|
|
|
|
Mi-An Xue, Xiaoli Yuan, Cheng Zhong and Peng Wan
Co2Zr and Co2Ti are both cubic crystals with a Cu2Mg-type structure. The elastic, thermodynamic and electronic properties of the intermetallic compounds Co2Zr and Co2Ti are investigated by using ab initio plane-wave pseudopotential density functional the...
ver más
|
|
|
|
|
|
|
|
|
|
|
Haopeng Zhang, Wenbin Liu, Tingting Lin, Wenhong Wang and Guodong Liu
The structural stability and magnetic properties of the cubic and tetragonal phases of Mn3Z (Z = Ga, In, Tl, Ge, Sn, Pb) Heusler alloys are studied by using first-principles calculations. It is found that with the increasing of the atomic radius of Z ato...
ver más
|
|
|
|
|
|
|
|
|
|
|
Shuai Yang, Zhiyong Wang, Xueqiong Dai, Jianrong Xiao, Mengqiu Long and Tong Chen
Phosphorene, due to its large surface-to-volume ratio and high chemical activity, shows potential application for gas sensing. In order to explore its sensing performance, we have performed the first-principles calculations based on density functional th...
ver más
|
|
|
|
|
|
|
|
|
|
|
Seohan Kim, Doukyun Kim, Jayoung Byeon, Jaehong Lim, Jaeyong Song, Sunhwa Park, Chulhong Park and Pungkeun Song
It is demonstrated that transparent amorphous oxide semiconductors (TAOS) can be excellent thermoelectric (TE) materials, since their thermal conductivity (κ) through a randomly disordered structure is quite low, while their electrical conductivity...
ver más
|
|
|
|
|
|