Atomistic study of Al partitioning and its influence on nanoscale precipitation of Cu-rich nanocluster-strengthened steels

2021 ◽  
pp. 111687
Author(s):  
B.C. Zhou ◽  
C.Y. Yu ◽  
S. Qiu ◽  
T. Yang ◽  
J.H. Luan ◽  
...  
Keyword(s):  
Atomistic Study

The roles of density and oxygen concentration on the structure of silica aerogel: Insight from an atomistic study

2021 ◽  
Vol 556 ◽  
pp. 120666
Author(s):  
Guang-Lei Zhang ◽  
Xin-Yue Shi ◽  
Sheng-Jian Qin ◽  
Guo-Qiang Qin ◽  
Hong-Ya Wu ◽  
...  
Keyword(s):  
Oxygen Concentration ◽  
Silica Aerogel ◽  
Atomistic Study

Atomistic study of the alloying behavior of crystalline SnSe1−xSx

2017 ◽  
Vol 19 (32) ◽  
pp. 21648-21654 ◽  
Author(s):  
Trinh Thi Ly ◽  
Ganbat Duvjir ◽  
Taewon Min ◽  
Jinho Byun ◽  
Taehoon Kim ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Atomic Level ◽  
Atomistic Study

The alloying behavior of crystalline SnSe1−xSx was investigated at the atomic level by combining STM experiments and DFT calculations.

scholarly journals Atomistic study of hydrogen distribution and diffusion around a {112} edge dislocation in alpha iron

2008 ◽  
Vol 56 (15) ◽  
pp. 3761-3769 ◽  
Author(s):  
Shinya Taketomi ◽  
Ryosuke Matsumoto ◽  
Noriyuki Miyazaki
Keyword(s):  
Edge Dislocation ◽  
Hydrogen Distribution ◽  
Alpha Iron ◽  
Atomistic Study ◽  
And Diffusion

Atomistic Study of Cleavage and Dislocation Emission in NiAl

1994 ◽  
Vol 364 ◽  
Author(s):  
M. Ludwig ◽  
P. Gumbsch
Keyword(s):  
Finite Element ◽  
Mixed Mode ◽  
Crack Tip ◽  
Mode I ◽  
Crack Plane ◽  
Dislocation Emission ◽  
Dislocation Generation ◽  
Embedded Atom ◽  
Atomistic Study ◽  
Eam Potential

AbstractThe atomistic processes during fracture of NiAl are studied using a new embedded atom (EAM) potential to describe the region near the crack tip. To provide the atomistically modeled crack tip region with realistic boundary conditions, a coupled finite element - atomistic (FEAt) technique [1] is employed. In agreement with experimental observations, perfectly brittle cleavage is observed for the (110) crack plane. In contrast, cracks on the (100) plane either follow a zig-zag path on (110) planes, or emit dislocations. Dislocation generation is studied in more detail under mixed mode I/II loading conditions.

scholarly journals Reaction path ensemble of the B–Z-DNA transition: a comprehensive atomistic study

2012 ◽  
Vol 41 (1) ◽  
pp. 33-43 ◽  
Author(s):  
Mahmoud Moradi ◽  
Volodymyr Babin ◽  
Christopher Roland ◽  
Celeste Sagui
Keyword(s):  
Reaction Path ◽  
Z Dna ◽  
Atomistic Study

Atomistic Study of the Mechanism of Carbonation

2015 ◽  
pp. 293-299
Author(s):  
Andreas Funk ◽  
Reinhard Trettin
Keyword(s):  
Atomistic Study
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