Once upon a time, an Embedded atom method potential was born. He had a loving mother called, Experiment and strong, self-confident father called, Ab initio. His childhood was very sad. All people from village underestimated him. You are neither experiment, nor Ab initio, they said. You are useless. But one unusual day, changed everything. A huge monster, called Microstructure attacked the village. Embedded atom method potential’s mother and father picked up their weapons and tried to flick off him, but they were too weak. People from the village were scared. Most powerful Experiment and Ab initio from the village couldn’t handle with the monster. They thought that this is the end of the village. Then the underestimated son joined the battle. After much effort, he, with help of his mother and father solved the secret of Microstructure. They enslaved the monster. It had to help people in village. This is the story, how underestimated son became a hero and how people learned, that in cooperation is a power.
Program bulk
Program for fast validation and comparison of semi-empirical EAM potentials. Programs T1 and T2 transform potentials in Dynamo and tabulated format into format used by program BULK respectively.
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Transformation of FCC lattice to BCC lattice
Animation shows the transformation of the FCC lattice to BCC lattice and subsequent modification of the lattice parameter. First, the FCC lattice is compressed in x, y or z direction and transformed to BCC lattice. After that, the lattice parameter of FCC lattice is changed to optimal value for specific element.
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Animation shows the transformation of the FCC Iron to BCC Iron. Color of the atoms correspond to cohesive energy. Both deformations showed above were applied together. FCC lattice was stretched in x and z direction to 112.43% andcompressed in y direction to 79.5%. Deformation was performed by program BULK.
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Final Theses
Bachelor's degree: Determination of solid state matter parameters by first principles. (In Slovak language)
Master 's degree: Supercomputer simulation of the properties of solids. (In Slovak language)
Master 's degree: Supercomputer simulation of the properties of solids. (In Slovak language)
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