池庄司 民夫

Density and temperature dependence of proton diffusion in water: A first-principles molecular dynamics study 

CHEMPHYSCHEM 6(9) 1775-1779 2005年9月  

Molecular-dynamic simulations of martensitic transformation of cobalt 

METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE 36A(9) 2307-2314 2005年9月  

Crystal structures of zeolite linde type A incorporating K clusters: Dependence on the K atom loading density 

JOURNAL OF PHYSICAL CHEMISTRY B 108(46) 17709-17720 2004年11月  

Hydrogen bond driven chemical reactions: Beckmann rearrangement of cyclohexanone oxime into ε-caprolactam in supercritical water 

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 126(20) 6280-6286 2004年5月  

Size- and temperature-dependent structural transitions in gold nanoparticles 

PHYSICAL REVIEW LETTERS 92(11) 115507-1-115507-4 2004年3月  

Comparative study of dehydrogenation at Pt(111)/water and Pt(111)/vacuum of methanol interfaces 

CHEMICAL PHYSICS LETTERS 377(1-2) 236-242 2003年8月  

Surface tensions and stress tensors of liquid and solid clusters by molecular dynamics 

EUROPEAN PHYSICAL JOURNAL D 24(1-3) 211-214 2003年6月  

Molecular-level calculation scheme for pressure in inhomogeneous systems of flat and spherical layers 

MOLECULAR SIMULATION 29(2) 101-109 2003年  

Microscopic pressure tensor for hard-sphere fluids 

Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 66(1) 011203-1-011203-4 2002年7月24日  

Microscopic pressure tensor for hard-sphere fluids 

PHYSICAL REVIEW E 66(1) 2002年7月  

Microscopic pressure tensor for hard-sphere fluids 

PHYSICAL REVIEW E 66(1) 2002年7月  

Direct evidence of magnetically induced phase separation in the fcc phase and thermodynamic calculations of phase equilibria of the Co-Cr system 

Acta Materialia 50(9) 2223-2232 2002年5月24日  

Oscillatory double-diffusive convection in a porous enclosure due to opposing heat and mass fluxes on the vertical walls 

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER 45(6) 1365-1369 2002年3月  

Molecular dynamics simulations of nucleation process from supercooled liquid Pt with EAM potentials 

MATERIALS TRANSACTIONS 42(11) 2299-2306 2001年11月  

A numerical calculation method advantageous for complex boundary problems - An application to the pulse discharge sintering process- 

MATERIALS TRANSACTIONS 42(11) 2165-2171 2001年11月  

Thermodynamic calculations of phase equilibria of Co-Cr-Pt ternary system and magnetically induced phase separation in the FCC and HCP phases 

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 236(1-2) 220-233 2001年10月