In this paper, thermoelastic problem of onedimensional copper rod under thermal shock is simulated using molecular dynamics method by adopting embedded atom method potential. The rod is on axis x, the left outermost s...In this paper, thermoelastic problem of onedimensional copper rod under thermal shock is simulated using molecular dynamics method by adopting embedded atom method potential. The rod is on axis x, the left outermost surface of which is traction free and the right outermost surface is fixed. Free boundary condition is imposed on the outermost surfaces in direction y and z. The left and right ends of the rod are subjected to hot and cold baths, respectively. Temperature, displacement and stress distributions are obtained along the rod at different moments, which are shown to be limited in the mobile region, indicating that the heat propagation speed is limited rather than infinite. This is consistent with the prediction given by generalized thermoelastic theory. From simulation results we find that the speed of heat conduction is the same as the speed of thermal stress wave. In the present paper, the simulations are conducted using the large-scale atomic/molecular massively parallel simulator and completed visualization software.展开更多
Heavy ingots are widely used in many industrial fields. The coarse grains formed during the process of in- got solidification influence the properties and fracture behaviors of the final products. The coarse grain gro...Heavy ingots are widely used in many industrial fields. The coarse grains formed during the process of in- got solidification influence the properties and fracture behaviors of the final products. The coarse grain growth was simulated under different thermal gradients. A 30Cr2Ni4MoV steel ingot was melted in a cubic crucible with dimen-sions of 15 cm×10 cm×23 cm, and the cooling conditions on each side of the crucible were controlled by different thermal curves. The influences of thermal gradients and rotational flows on grain growth in heavy steel ingots were then investigated both numerically and experimentally. The results showed that when the amplitude of the rotation angle was 60°, the metal was solidified under a reciprocating horizontal rotational condition when the angular velocity was 10 （°）/s or 20 （°）/s. As the thermal gradient increased, the lengths of the primary columnar grains in- creased, and the diameters of equiaxed grains decreased. When the direction of flow rotation was perpendicular to the direction of grain growth, the columnar grain zone was nearly eliminated, and the average diameter of equiaxed grains was 0.5 mm.展开更多
基金supported by the National Natural Science Foundation of China (10872158)
文摘In this paper, thermoelastic problem of onedimensional copper rod under thermal shock is simulated using molecular dynamics method by adopting embedded atom method potential. The rod is on axis x, the left outermost surface of which is traction free and the right outermost surface is fixed. Free boundary condition is imposed on the outermost surfaces in direction y and z. The left and right ends of the rod are subjected to hot and cold baths, respectively. Temperature, displacement and stress distributions are obtained along the rod at different moments, which are shown to be limited in the mobile region, indicating that the heat propagation speed is limited rather than infinite. This is consistent with the prediction given by generalized thermoelastic theory. From simulation results we find that the speed of heat conduction is the same as the speed of thermal stress wave. In the present paper, the simulations are conducted using the large-scale atomic/molecular massively parallel simulator and completed visualization software.
基金Sponsored by National Basic Research Program of China(2011CB012900)
文摘Heavy ingots are widely used in many industrial fields. The coarse grains formed during the process of in- got solidification influence the properties and fracture behaviors of the final products. The coarse grain growth was simulated under different thermal gradients. A 30Cr2Ni4MoV steel ingot was melted in a cubic crucible with dimen-sions of 15 cm×10 cm×23 cm, and the cooling conditions on each side of the crucible were controlled by different thermal curves. The influences of thermal gradients and rotational flows on grain growth in heavy steel ingots were then investigated both numerically and experimentally. The results showed that when the amplitude of the rotation angle was 60°, the metal was solidified under a reciprocating horizontal rotational condition when the angular velocity was 10 （°）/s or 20 （°）/s. As the thermal gradient increased, the lengths of the primary columnar grains in- creased, and the diameters of equiaxed grains decreased. When the direction of flow rotation was perpendicular to the direction of grain growth, the columnar grain zone was nearly eliminated, and the average diameter of equiaxed grains was 0.5 mm.
