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Chirale elastische Metamaterialien: Grundlegende Mechanismen und deren Nutzun...
Chiral metamaterials can translate purely translational motions into rotations. The strength of this coupling is quantified by the chiral response, which describes the angle by... -
Dataset of 2D effective elasticity tensor from discrete simulations of quasi-...
This dataset contains 76,356 effective elasticity tensors describing the degradation of quasi-brittle materials. The elasticity tensors are gathered from discrete... -
Anomalous elasticity in negative thermal expansion materials
Recent experimental work on the negative thermal expansion material Zn(CN)2 has shown that the elastic stiffness is anomalously reduced on compression. That is, if B is the bulk... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder includes the relaxation calculations for the hcp-Fe-Si-C alloy under NPT ensemble at 360 GPa and 2000 K. Ab initio molecular dynamics were performed by using the... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder includes the relaxation calculations for the hcp-Fe-Si-C alloy under NPT ensemble at 360 GPa and 4000 K. Ab initio molecular dynamics were performed by using the... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder includes the relaxation calculations for the hcp-Fe-Si-C alloy under NPT ensemble at 360 GPa and 6500 K. Ab initio molecular dynamics were performed by using the... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder includes the elastic calculations for the hcp-Fe at pressures from 60 GPa to 340 GPa. Elastic calculations were performed at the density functional theory level by... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder contains the structures used for the cluster expansion for the hcp-Fe-Si-C alloy by using ATAT code.It also contains the Monte Carlo calculations for the production... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder includes the elastic calculations for the hcp-Fe-Si-C alloy with the special quasirandom structure at Earth's core conditions (360 GPa and 6500 K). Elastic... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder includes the elastic calculations for the hcp-Fe-Si-C alloy with the symmetrical structure at Earth's core conditions (360 GPa and 6500 K). Elastic calculations were... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder includes the relaxation calculations for the hcp-Fe-Si-C alloy under NPT ensemble at 360 GPa and 5500 K. Ab initio molecular dynamics were performed by using the... -
Ab initio calculations and high P-T experiments on iron, iron alloys and othe...
The folder includes the relaxation calculations for the hcp-Fe-Si-C alloy under NPT ensemble at 360 GPa and 6700 K. Ab initio molecular dynamics were performed by using the... -
Pure Magnesium DFT calculations for interatomic potential fitting
This dataset provides DFT (density functional theory as implemented in VASP, Vienna Ab Initio Simulation Package) calculations for pure Magnesium. It was designed by Binglun... -
Pure Magnesium DFT calculations for interatomic potential fitting
This dataset provides DFT (density functional theory as implemented in VASP, Vienna Ab Initio Simulation Package) calculations for pure Magnesium. It was designed by Binglun...
