ÞãBåwåw@ ¶(Graduate Student, Kyushu University) In order to clarify the correlation between the grain boundary energy and its atomic structure in copper, energy and atomic structure ofq110rsymmetric tilt boundaries in copper were simulated by molecular dynamics method. From the calculations, it was revealed that the grain boundary energy ofq110rsymmetric tilt boundaries strongly depended on misorientation and that there are deep energy cusps at the misorientation angles which correspond to (111)S3 and (113)S11 symmetric tilt boundaries. It was found that the atomic structure of eachq110rsymmetric tilt boundary was described by three kinds of structural units which constitute (331)S19, (111)S3 and (113)S11 symmetric tilt boundaries respectively, and by (110) and (001) single crystal units. The volume expansion of each grain boundary was evaluated and compared with the grain boundary energy. As a result, it was elucidated that the grain boundary energy depends on the excess free volume of symmetric tilt boundaries.