MONTE CARLO SIMULATION USING JOHNSON POTENTIAL ON Gd–MgALLOY FOR DEBYE–WALLER FACTOR AND DEBYE TEMPERATURE

S. Chitra () and K. Ramachandran ()
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S. Chitra: Sriparasakthi College for Women, Courtallam-627 802, India
K. Ramachandran: School of Physics, Madurai Kamaraj University, Madurai-625 021, India

International Journal of Modern Physics C (IJMPC), 2002, vol. 13, issue 05, 707-715

Abstract: Monte Carlo simulation (MCS) on the thermal properties in Gd–Mg alloy becomes essential as there are only limited experiments available. A realistic Johnson potential is used to workout the specific heats for various temperatures and hence the Debye temperature. The results from the present simulation technique are very well compared with our shell model calculation. The need of better X-ray measurements for Debye–Waller factor and Debye temperature other than the measurements of Subadhra and Sirdeshmukh, is discussed in detail.

Keywords: Mg–RE alloy; simulation; Johnson potential; Gd alloy; MEAM; metropolis algorithm (search for similar items in EconPapers)
Date: 2002
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DOI: 10.1142/S0129183102003474

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