铝的晶格常数,体弹模量及弹性常数分子模拟.docxVIP

Calculation of material latticeconstantandbulk modulusSummary：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 usethe software material studio to simulate and get them. The simulation results match the experiment