Investigation of the mechanical properties of MnSi via EBSD-nanoindentation coupling and ab-initio calculation

2021 ◽  
pp. 163458
Author(s):  
M. Mejri ◽  
B. Malard ◽  
Y. Thimont ◽  
D. Connétable ◽  
P. Floquet ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation

Evaluation of Mechanical Properties of Stabilized Zirconia and Zirconate Pyrochlore

2007 ◽  
Vol 1043 ◽  
Author(s):  
Takuya Matsuo ◽  
Keiichi Shimamura ◽  
Tatsumi Arima ◽  
Kazuya Idemitsu ◽  
Yaohiro Inagaki
Keyword(s):  
Mechanical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Md Simulation ◽  
Stabilized Zirconia

AbstractMechanical properties of stabilized zirconia and zirconate pyrochlore were evaluated by experiment, MD simulation and ab initio calculation.

AB INITIO CALCULATION OF THE ELECTRONIC AND MECHANICAL PROPERTIES OF TRANSITION METALS AND THEIR NITRIDES

2004 ◽  
Vol 18 (07n08) ◽  
pp. 281-289 ◽  
Author(s):  
CHENG-BIN LI ◽  
MING-KAI LI ◽  
FU-QING LIU ◽  
XIANG-JUN FAN
Keyword(s):  
Mechanical Properties ◽  
Transition Metals ◽  
Ab Initio Calculations ◽  
Charge Density ◽  
Ab Initio ◽  
Electronic Properties ◽  
Density Of States ◽  
Ab Initio Calculation ◽  
Structural And Electronic Properties

The results of ab initio calculations of the bulk moduli (B0) and related structural and electronic properties of selected transition metals and their nitrides are presented. There is a correlation between B0 and valence charge density. B0 does not vary monotonically with the addition of d electrons. Charge density and density of states (DOS) plots enable us to explain it.

scholarly journals Structural, Electronic, and Mechanical Properties of A3Mn2O7 (A = Sr, Ca): Ab Initio Calculation

2019 ◽  
Vol 538 (1) ◽  
pp. 135-145 ◽  
Author(s):  
Sevket Simsek ◽  
Husnu Koc ◽  
Amirullah M. Mamedov ◽  
Ekmel Ozbay
Keyword(s):  
Mechanical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation

Thermodynamic and mechanical properties of TiC from ab initio calculation

2014 ◽  
Vol 116 (3) ◽  
pp. 033509 ◽  
Author(s):  
D. Y. Dang ◽  
J. L. Fan ◽  
H. R. Gong
Keyword(s):  
Mechanical Properties ◽  
Ab Initio ◽  
Ab Initio Calculation
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