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Author Luedtke, W. D. ♦ Landman, U.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword MATERIALS SCIENCE ♦ SILICON ♦ MELTING ♦ SAMPLE PREPARATION ♦ AMORPHOUS STATE ♦ ANNEALING ♦ PHYSICAL PROPERTIES ♦ SIMULATION ♦ TRANSITION HEAT ♦ ELEMENTS ♦ ENTHALPY ♦ HEAT TREATMENTS ♦ PHASE TRANSFORMATIONS ♦ SEMIMETALS ♦ THERMODYNAMIC PROPERTIES ♦ Other Materials- Structure & Phase Studies
Abstract Molecular-dynamics simulations of amorphous silicon are described, using the two- and three-body interaction potentials constructed by Stillinger and Weber. The amorphous-material preparation procedure is described and the structural and dynamical properties of the amorphous phase are simulated and analyzed. The characteristics of the simulated amorphous phase compare favorably with experimental data and with structural models. Upon rapid heating, the amorphous sample melts via a first-order transition at a temperature of 230 K below the melting temperature of the crystalline material with a latent heat approximately equal to 0.2--0.4 of the latent heat of the crystalline-liquid transition. The nature of the transition and the magnitude of the latent heat maintain, but shift to a lower temperature, for melting of fully relaxed amorphous configurations at elevated temperatures.
Educational Use Research
Learning Resource Type Article
Publisher Date 1988-03-15
Publisher Department School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332
Publisher Place United States
Journal Phys. Rev. B: Condens. Matter
Volume Number 37
Issue Number 9
Organization School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332


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