Study On The Temperature Dependent Surface Energy And Elastic Modulus Of FCC Metal

Metal surface properties are great significance for materials science and nanotechnology. For work in the complex environment of metal nano structure materials by surface energy and elastic modulus variation of many factors and different crystal faces and temperature can be caused by the change of surface energy and elastic modulus. In this paper, using molecular dynamics method, belonging to the face centered cubic seven kinds of metal aluminum(Al), gold(Au), copper(Cu),silver(Ag), nickel(Ni), platinum(Pt), palladium(Pd) of the corresponding simulation calculation.(1) Calculatting the ten different crystal surface(100),(210),(211),(221),(310),(320),(322),(410),(431) and(521) metal surface energy. It is proved that the metal surface can be affected by the crystal face, surface energy in different metal crystal surface must be different. The calculation of metal crystals surface(111) is the lowest energy in all crytals, surface energy is increasing by the angel in different crystal surface with(111) surface increases, drawing the crystal face angle related to the surface energy curve. The calculation results are in accordance with the existing data,and the fitting equation of the influence of the angle of the surface can be obtained.(2) Calculatting the ten different temperature(5K, 50 K, 150 k, 250 K, 300 K and400k and 500 K and 600 k, 700 k, 800K) metal surface. The results show that metal crystal by temperature effect is obvious, in the calculation of temperature, 5K metal surface energy is the minimum surface; with the increase of temperature, surface energy is decreased in a linear, draw the curve is related to the temperature and the surface energy and is related to the temperature and the fitting equation.(3) The effect of temperature on the surface tension and elastic modulus has been calculated. The surface tension of metal at different temperature is calculated. The results show that the surface tension of the metal decreases linearly with the increase of temperature. The surface tension and the temperature of the calculation results were fitted, and the fitting equation was obtained. The surface elastic modulus in differenttemperatures was calculated, and the calculation results of the axial stress in the calculation of Cu in the nanowires were modified, the axial stress of nanowires was calculated, and the calculation results of constant surface elastic modulus were modified.