期刊
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
卷 33, 期 2, 页码 328-342出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.calphad.2008.08.004
关键词
Phase diagram calculation; Materials design and optimization; Computational thermodynamics and kinetics; Integrated computational materials engineering (ICME); Precipitation simulation
类别
资金
- US Air Force
The newly enhanced PANDAT, integrating PanEngine, PanOptimizer and PanPrecipitation, bridges thermodynamic calculation, property optimization, and kinetic simulation of multi-component systems based on CALPHAD (CALculation of PHAse Diagram) approach. This software package, in combination with thermodynamic/kinetic/thermo-physical databases, provides an integrated workspace for phase diagram calculation and materials property simulation of multi-component systems. The simulation results, which include thermodynamic, kinetic, thermo-physical properties, and microstructure related information, are critically needed in materials design, in the selection of parameters for fabrication steps such as heat treatment, prediction of performance, and failure analysis. In addition to the functionalities provided by PANDAT as a stand-alone program, its calculation/optimization engines (PanEngine, PanOptimizer and PanPrecipitation) are built as shared libraries and enable their integration with broader applications in the field of Materials Science and Engineering. (C) 2008 Elsevier Ltd. All rights reserved.
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