The effect of electric field applied and Mg2+ doped on formation of calcium carbonatescale in circulating cooling water is investigated by using home-made experimental device, which can simulate the scaleof formationin local power plant. The results showthat high-voltage electrostatic fields and magnesium ions can inhibit scale growthin circulating cooling water. When the magnesium ion concentration is 4 mmol/L, the scale inhibition effect is the best under the action of the electric field (6 kV), and its scale inhibition rate can reach 44.56%. Meanwhile, some phenomenonare explained and confirmed by the results of first-principles calculations. The calculated shear modulus of aragonite is greater than that of calcite. This might be used to explain that aragonite is easier to adhere to the heat exchange surface. This is in good agreement with experimental results. Calcite has better anti-scaling property than aragonite. The crystal structure after physical water treatment is blunt, and the untreated crystal structure is sharp.