scholarly journals Effect of interstitial \begin{document}${\left\langle {100} \right\rangle }$\end{document} dislocation loop on expansion of micro-crack in body centered cubic iron investigated by molecular dynamics method

2020 ◽  
Vol 69 (11) ◽  
pp. 116102
Author(s):  
Jin-Jie Liang ◽  
Ning Gao ◽  
Yu-Hong Li
Keyword(s):  
Molecular Dynamics ◽  
Dislocation Loop ◽  
Molecular Dynamics Method ◽  
Body Centered Cubic ◽  
Dynamics Method

Deformation Mechanism of Diamond Nanocutting Single-Crystal Copper Using Molecular Dynamics Simulatio

2011 ◽  
Vol 239-242 ◽  
pp. 2775-2778
Author(s):  
Jia Xuan Chen ◽  
Ying Chun Liang ◽  
Xia Yu ◽  
Zhi Guo Wang ◽  
Zhen Tong
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Cutting Force ◽  
Dislocation Loop ◽  
Deformation Mechanism ◽  
Molecular Dynamics Method ◽  
Parameter Method ◽  
Removal Mechanism ◽  
Single Crystal Copper ◽  
Dynamics Method

To study the removal mechanism of materials during nano cutting, molecular dynamics method is adopted to simulate single crystal copper nanomachining processes, and subsurface defects evolvements and chip forming regulation are analyzed by revised centro-symmetry parameter method and the ratios of the tangential cutting forceand the normal cutting force. The results show that there are different defects under different cutting depths. When cutting depths is shallower, there are dislocation loop nucleation in the subsurface of the workpiece beneath the tool; however, when the cutting depths is deeper, there are dislocations nucleation and slipping along {101} plane and (111) plane. In addition, both tangential cutting forceand the normal cutting force decrease as the cutting depths decreasing. When the ratios of the normal cutting force and the tangential cutting force is below 0.9, the chip will be formed.

The Study of Nanosized Cu–Mn Precipitates Contribution to Hardening in Body Centered Cubic Fe Matrix

2018 ◽  
Vol 4 (4) ◽  
Author(s):  
YanKun Dou ◽  
XinFu He ◽  
DongJie Wang ◽  
Wu Shi ◽  
LiXia Jia ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Dislocation Segment ◽  
Shear Stresses ◽  
Body Centered Cubic ◽  
Dislocation Glide ◽  
Bcc Structure ◽  
Edge Dislocations ◽  
Bcc Phase ◽  
Dynamics Method

In order to study the contribution of manganese (Mn) atoms in copper (Cu) precipitates to hardening in body centered cubic (BCC) structure iron (Fe) matrix, the interactions of a 1/2 〈111〉 {110} edge dislocations with nanosized Cu and Cu–Mn precipitates in BCC Fe have been investigated by using molecular dynamics method (MD). The results indicate that the critical resolved shear stresses (τc) of the Cu–Mn precipitates are larger than that of Cu precipitates. Meanwhile, τc of the Cu–Mn precipitates show a much more significant dependence on temperature and size compared to Cu precipitates. Mn atoms exhibit strong attraction to dislocation segment in Cu precipitate and improve the fraction of transformed atoms from BCC phase to nine rhombohedron (R) phase for big size precipitates. Those all lead to the higher resistance to the dislocation glide. Eventually, these features confirmed that the appearance of Mn atoms in Cu precipitates greatly facilitates the hardening in BCC Fe matrix.

Study on Interactive Multi-resolution Molecular Dynamics Method

2000 ◽  
Vol 20 (1Supplement) ◽  
pp. 43-46
Author(s):  
Ken-ichi SAITOH ◽  
Takashi DOI ◽  
Masao KOMAYA ◽  
Takehiko INABA
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Dynamics Method

Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins

2015 ◽  
Vol 119 (46) ◽  
pp. 14594-14603 ◽  
Author(s):  
Ole Juul Andersen ◽  
Julie Grouleff ◽  
Perri Needham ◽  
Ross C. Walker ◽  
Frank Jensen
Keyword(s):  
Molecular Dynamics ◽  
Conformational Changes ◽  
Molecular Dynamics Method ◽  
Enhanced Sampling ◽  
Dynamics Method
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