Parameter Optimization of Tersoff Interatomic Potentials Using a Genetic Algorithm

スポンサーリンク

概要

• 論文の詳細を見る

• A method that gives the parameters of advanced Tersoff interatomic potentials for describing nonequilibrium atomic structures has been developed. This method uses a genetic algorithm to optimize the Tersoff potential parameters fitted to first-principles-calculated cohesive energies of various carbon systems, including bulk systems with atomic defects and amorphous, surface, or cluster systems under stress. These optimized parameters converge towards a set of Tersoff potential parameters that well describes not only crystals but also amorphous systems.

• 2001-04-15

著者

• SAITO Yoko

  Mechanical Engineering Research Laboratory, Hitachi, Ltd.

• SASAKI Naoya

  Mechanical Engineering Research Laboratory, Hitachi, Ltd.

• MORIYA Hiroshi

  Mechanical Engineering Research Laboratory, Hitachi, Ltd.

• KAGATSUME Akiko

  Mechanical Engineering Research Laboratory, Hitachi, Ltd.

• NORO Shingo

  Mechanical Engineering Research Laboratory, Hitachi, Ltd.

• Moriya Hiroshi

  Mechanical Engineering Research Laboratory Hitachi Ltd.

• Kagatsume Akiko

  Mechanical Engineering Research Laboratory Hitachi Ltd.

• Noro Shingo

  Mechanical Engineering Research Laboratory Hitachi Ltd.

• Sasaki Naoya

  Mechanical Engineering Research Laboratory Hitachi Ltd.

• Saito Yoko

  Mechanical Engineering Research Laboratory Hitachi Ltd.

関連論文

• Parameter Optimization of Tersoff Interatomic Potentials Using a Genetic Algorithm
• Molecular Dynamics Study of Impurity Effects on Grain Boundary Grooving
• Analysis of Single-Crystalline Iron Tensile Deformation Using Approximation Neglecting Fluctuations and Molecular Dynamics Simulation
• Molecular Dynamics Simulation of Tensile Deformation of Iron Single Crystals Including Thermal Effect
• Molecular Dynamics Study of Stress Effects on Raman Frequencies of Crystalline Silicon
• First-Principles-Calculation Method for Optimizing Strain to Reduce Gate Leakage Current in MOS Transistors with Silicon Oxynitride Gate Dielectrics
• B26-054 FIRST-PRINCIPLES-CALCULATION METHOD FOR OPTIMIZING STRAIN TO REDUCE GATE LEAKAGE CURRENT IN MOS TRANSISTORS WITH SILICON OXYNITRIDE GATE DIELECTRICS
• SIM-K EXPECTATIONS FOR SIMULATION TECHNOLOGIES TO INTELLECTUAL DESIGN OF PRODUCTS(Simulations of Micro/Nano Scale Phenomena I,Technical Program of Oral Presentations)
• Properties of SiGe Films Fabricated by Reactive Thermal Chemical Vapor Deposition Using Lamp Heating
• Fast Computation of Microscale Temperature Distribution in LSI Chips

スポンサーリンク