| 摘要 |
<p>PROBLEM TO BE SOLVED: To provide a simulation method/device which can calculate a correct motion of a simulation object element under a periodic boundary condition where pressure, stress and a couple of forces per volume are constant. SOLUTION: A set pressure, or a set pressure and a couple of forces per a set volume are converted into tensorσex of an external force acting on a cell (S3). Then a numeric solution of an equation of motion of a matrix h showing the cell is found (S4-S10) to show that the time differential d (dh/dt)h-1}/dt of the product (dh/dt)h-1} of the time differential (dh/dt) of the matrix h showing the cell and an inverse matrix h-1 of the matrix h showing the cell are equal to WV(σ-σex)} being a constant multiple of a product of a difference (σ-σex) between the tensorσex of the external force acting on the cell and a tensorσof a force and of cell volume V. Thus, a satisfactorily large aggregate consisting of the simulation object elements such as molecules and atoms can be simulated.</p> |
