Atomistic study of intrinsic defect migration in 3C-SiC

2004 ◽  
Vol 69 (24) ◽  
Author(s):  
Fei Gao ◽  
William J. Weber ◽  
M. Posselt ◽  
V. Belko
Keyword(s):  
Intrinsic Defect ◽  
Defect Migration ◽  
Atomistic Study

scholarly journals Intrinsic defect migration in Be12Ti

2021 ◽  
Vol 128 ◽  
pp. 106937
Author(s):  
M.L. Jackson ◽  
P.A. Burr ◽  
R.W. Grimes
Keyword(s):  
Intrinsic Defect ◽  
Defect Migration

scholarly journals Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Chem Phys ◽  
Intrinsic Defect ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study’ by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp06624a.

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

scholarly journals Resonance control of a silicon micro-ring resonator modulator under high-speed operation using the intrinsic defect-mediated photocurrent

2017 ◽  
Vol 25 (20) ◽  
pp. 24827 ◽  
Author(s):  
Zhao Wang ◽  
Dixon Paez ◽  
Ahmed I. Abd El-Rahman ◽  
Peng Wang ◽  
Liam Dow ◽  
...  
Keyword(s):  
High Speed ◽  
Ring Resonator ◽  
Intrinsic Defect ◽  
Resonance Control

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.

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