Environmental effects of H 2 O on fracture initiation in silicon : A hybrid electronic-density-functional Õ molecular-dynamics study

Fuyuki Shimojo Department of Physics, Kumamoto University, Kumamoto 860, Japan Rajiv K. Kalia, Aiichiro Nakano, and Priya Vashishta Collaboratory for Advanced Computing and Simulations, Department of Material Science & Engineering, Department of Physics & Astronomy, Department of Computer Science and Department of Biomedical Engineering, University of Southern California, Los Angeles, California 90089-0242