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On the estimation of spatial averaging volume for determining stress using atomistic methods
2012
Modelling and Simulation in Materials Science and Engineering
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The estimation of stress at a continuum point from the atomistic scale requires volume averaging over a region that contains this point. A hypothesis is put forth to obtain a lower bound for the size of this region based on an analogy to the Ising model. This hypothesis is tested on copper using two classical elasticity problems. Submitted to: Modelling Simulation Mater. Sci. Eng. N i,j,k=1,k =j =i K ijk s i s j s k − . . . . (3) Here, the magnetic field H i , the pair coupling J ij and the
doi:10.1088/0965-0393/21/1/015010
fatcat:wsvve45wsfbsjkrnd62lchquhe