Ling Ti Kong

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The Green’s function molecular dynamics method, which enables one to study the elastic response of a three-dimensional solid to an external stress field by taking into consideration only the surface atoms, was implemented as an extension to an open source classical molecular dynamics simulation code LAMMPS. This was done in the style of fixes. The first(More)
To reveal the energetic sequence of the alloy phases in the Co-Au system, the lattice constants, cohesive energies, and bulk modulus of the fcc Au, hcp Co, the B1, B2, and L1(0) structured CoAu phases, and the D0(3), L1(2), and D0(19) structured Co(3)Au and CoAu(3) phases, respectively, are acquired by first-principles calculations within the(More)
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