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Calculation of material lattice constant
and bulk modulus
Summary ：
Aluminum is one of the worlds most used metals, the calculated aluminum lattice
constant and bulk modulus can be used to improve the performance of the aluminum
consequently make better use of aluminum. In virtue of molecular dynamics simulation
software，we can solve the lattice constant . By the derivative of the lattice constant, the bulk
modulus can be obtained. The elastic constants of a material display the elasticity and we can
use the software material studio to simulate and get them. The simulation results match the
experimental values.
Key words:
Aluminum, lattice constant, bulk modulus, elastic constant , simulation.
Introduction:
In materials science, in order to
facilitate analysis about the way in which
the crystal particles are arranged, the basic
Figure A
unit can be removed from the crystal lattice
Lattice constant is a basic structural
as a representative (usually the smallest
parameter ， which has a direct relationship
parallel hexahedron) as a composition unit
with the bondings between the atoms ，of
of dot matrix, called a cell (i.e. solid State
the crystal substance. It reflects the changes
Physics original cell concept); lattice
in the internal composition of the crystal of
constant (or so-called
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