Monte Carlo simulation of short range order relevant to CuAu |
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| Affiliation: | 1. Key Laboratory for Ultrafine Materials of Ministry of Education, School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China;2. Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China;1. Key Laboratory of Sensor Analysis of Tumor Marker (Ministry of Education), Key Laboratory of Inorganic Synthesis and Applied Chemistry, College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042, PR China;2. College of Science and Technology, Agricultural University of Hebei, Cangzhou 061100, China;1. Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao, 266101, PR China;2. Graduate University of Chinese Academy of Sciences, Beijing 100190, PR China;1. Advanced Materials Research Division, Korea Research Institute of Chemical Technology, Yuseong Post Office Box 107, Daejeon, 34114, Republic of Korea;2. Department of Advanced Materials and Chemical Engineering, Hannam University, Daejeon, 34430, Republic of Korea;1. Research Center for Engineering Technology of Polymeric Composites of Shanxi Province, North University of China, Taiyuan 030051, PR China;2. Key Laboratory of Bio-Inspired Energy Materials and Devices, School of Chemistry and Environment, Beijing University of Aeronautics and Astronautics, Beijing 100191, PR China;3. International center for science and engineering, Waseda University, Shinjuku-ku, Tokyo 169-8555, Japan |
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| Abstract: | The Monte Carlo simulation method is employed to determine the Cowley-Warren short range order parameters for the first twelve nearest-neighbor shells on the Ising model relevant to CuAu. The Monte Carlo results are used to determine the free parameter in a mean-field-like class of theories described by Clapp and Moss. The ability of these theories to predict ratios between pair potentials is tested with our results. In addition, evidence of a region of heterophase fluctuations is presented in agreement with X-ray diffuse scattering measurements on Cu3Au. |
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