Tomonori Yamada

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Ever since Julius Wolff proposed the law of bone transformation in the 19th century, it has been widely known that the trabecular structure of cancellous bone adapts functionally to the loading environment. To understand the mechanism of Wolff's law, a three-dimensional (3D) computer simulation of trabecular structural changes due to surface remodeling was(More)
To clarify the mechanism of acicular ferrite formation in low carbon submerged arc weld metals of a Ti-B system with different aluminum contents, the lattice misfit between inclusion and acicular ferrite was investigated. The inclusions were directly sliced into thin foils by a focused ion beam device and crystallographic analyses were performed using a(More)
A useful definition of orbital degeneracy—form-degeneracy—is introduced, which is distinct from the usual energy-degeneracy: Two canonical spatial orbitals are form-degenerate when the energy expectation value in the restricted Hartree-Fock (RHF) wave function is unaltered upon a two-electron excitation from one of these orbitals to the other.(More)
We give a theoretical validation for calculating fundamental frequencies of a molecule from classical molecular dynamics (MD) when its anharmonicity is small enough to be treated by perturbation theory. We specifically give concrete answers to the following questions: (1) What is the appropriate initial condition of classical MD to calculate the fundamental(More)
MEMS (Micro-ElectroMechanical Systems) is a key technology for manufacturing in many industrial regions. Today’s rapid growth and commercialization of MEMS requires equally rapid product development. Virtual manufacturing, which is usually referred to as computer aided engineering (CAE), enables rapid product development especially in the MEMS world,(More)
A simple, easily implemented, accurate, and efficient approximation of long-range electron-electron-repulsion and electron-nucleus-attraction integrals is proposed. It replaces each product of two atomic-orbital (AO) basis functions of an electron by a point charge centered at the midpoint of the two AO's. The magnitude of the point charge is equal to the(More)
We demonstrate that the mean structures of molecules derived from quasiclassical direct ab initio molecular dynamics (MD) simulation, the classical simulation that takes into account quantum vibrational levels, agree well with those determined from quantum-mechanical (QM) expectation values and/or experimentally observed values. First, for a one-dimensional(More)
Received 9 September 2007; in final form 20 December 2007 Abstract The fundamental frequencies and the mean values of the internal coordinates are extracted from the trajectories of classical dynamics based on the relation between the classical and the quantum mechanical frequencies using quasi-classical direct ab initio molecular dynamics, where the(More)
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