Multiscale dislocation dynamics simulations of shock compression in copper single crystal

2005 ◽  
Vol 21 (12) ◽  
pp. 2369-2390 ◽  
Author(s):  
Mutasem A. Shehadeh ◽  
Hussein M. Zbib ◽  
Tomas Diaz de la Rubia
2015 ◽  
Vol 1 (1) ◽  
Author(s):  
Sagar Chandra ◽  
M. K. Samal ◽  
V. M. Chavan ◽  
R. J. Patel

AbstractA hierarchical multiscale modeling approach is presented to predict the mechanical response of dynamically deformed (1100 s−1−4500 s−1) copper single crystal in two different crystallographic orientations.Anattempt has been made to bridge the gap between nano-, micro- and meso- scales. In view of this, Molecular Dynamics (MD) simulations at nanoscale are performed to quantify the drag coefficient for dislocations which has been exploited in Dislocation Dynamics (DD) regime at the microscale. Discrete dislocation dynamics simulations are then performed to calculate the hardening parameters required by the physics based Crystal Plasticity (CP) model at the mesoscale. The crystal plasticity model employed is based on thermally activated theory for plastic flow. Crystal plasticity simulations are performed to quantify the mechanical response of the copper single crystal in terms of stressstrain curves and shape changes under dynamic loading. The deformation response obtained from CP simulations is in good agreement with the experimental data.


2002 ◽  
Vol 124 (3) ◽  
pp. 290-296 ◽  
Author(s):  
David H. Lassila ◽  
Mary M. LeBlanc ◽  
Gregory J. Kay

An apparatus has been developed for performing compression deformation experiments on oriented metallic single crystals to provide data for validation of 3-D dislocation dynamics simulations. The experiment is performed under conditions that allow unconstrained motion of the upper and lower compression platen, and thus a relatively uniform state of axial stress is maintained during the deformation. Experiments have been performed on high-purity Mo single crystal and polycrystalline Cu. Various aspects of the experimental procedures and results are presented. Possible usages of the experimental data for the validation of 3-D dislocation dynamics simulations are discussed.


2001 ◽  
Vol 673 ◽  
Author(s):  
Prita Pant ◽  
K.W. Schwarz ◽  
S.P. Baker

ABSTRACTMesoscopic simulations of dislocation interactions in thin, single crystal FCC metal films were carried out. Interactions between threading-misfit and threading-threading dislocation pairs were studied and the strength of the interactions determined. Threading-threading interactions were found to be significantly stronger than threading-misfit interactions. Dislocations with different possible combinations of Burgers vectors were studied under cyclic loading. Only annihilation of dislocations was seen to result in residual dislocation structure after complete unloading. No differences were observed in the nature of threading-misfit interactions in 111 and 001 oriented films.


Materialia ◽  
2019 ◽  
Vol 8 ◽  
pp. 100501 ◽  
Author(s):  
G. L'Hôte ◽  
S. Cazottes ◽  
J. Lachambre ◽  
M. Montagnat ◽  
P. Courtois ◽  
...  

2006 ◽  
Vol 312 ◽  
pp. 71-76
Author(s):  
J.H. Yang ◽  
Xiao Ping Zhang ◽  
Yiu Wing Mai ◽  
W. Yan

How a crack initiates from the smooth surface of single crystals subjected to uniaxial cyclic loading is unclear. Experiments were conducted to observe in detail the dislocation microstructures during the saturation stage of cyclic deformation in a copper single crystal using scanning electron microscopy and the electron channeling contrast (SEM–ECC) technique. Some dark zones were found in the dislocation microstructures, which were located either at the edge region of the specimen or within the persistent slip bands (PSBs) at the matrix/PSB interfaces. Hence, fatigue cracks will initiate at these sites with high stress concentrations, i.e., the dark zones. Also, dislocation dynamics (DD) simulation was adopted to calculate internal stress distributions induced by dislocations, and finite element analysis (FEA) used to obtain stress distribution at the matrix/PSB interfaces and neighboring micro-regions caused by an externally applied load. Simulation results show that the external shear stresses distribute uniformly in all specimens; while near the free-surface regions, the maximum value of internal stresses not only occurs at interfaces between PSBs and dislocation matrix, but also at locations where these interfaces cross the freesurface. Consequently, the interfaces are most probable sites for nucleated cracks. Finally, the simulation results agree well with experimental observations.


Metals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 582
Author(s):  
Anton Y. Nikonov ◽  
Andrey I. Dmitriev ◽  
Dmitry V. Lychagin ◽  
Lilia L. Lychagina ◽  
Artem A. Bibko ◽  
...  

The importance of taking into account directional solidification of grains formed during 3D printing is determined by a substantial influence of their crystallographic orientation on the mechanical properties of a loaded material. This issue is studied in the present study using molecular dynamics simulations. The compression of an FCC single crystal of aluminum bronze was performed along the <111> axis. A Ni single crystal, which is characterized by higher stacking fault energy (SFE) than aluminum bronze, was also considered. It was found that the first dislocations started to move earlier in the material with lower SFE, in which the slip of two Shockley partials was observed. In the case of the material with higher SFE, the slip of a full dislocation occurred via successive splitting of its segments into partial dislocations. Regardless of the SFE value, the deformation was primarily occurred by means of the formation of dislocation complexes involved stair-rod dislocations and partial dislocations on adjacent slip planes. Hardening and softening segments of the calculated stress–strain curve were shown to correspond to the periods of hindering of dislocations at dislocation pileups and dislocation movement between them. The simulation results well agree with the experimental findings.


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