Structural properties of bulk Pd0.085Cu0.44Ag0.475 ternary alloy
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abstract
Advanced bulk properties of Pd0.085Cu0.44Ag 0.475 are investigated by using MD simulation with Quantum Sutton-Chen semi-empirical inter atomic potential. The properties like enthalpy of mixing, temperature dependence of elastic constants, structure factor, cohesive energy, melting temperature, cell parameters and bulk modulus are calculated. Agreement with experimental values are presented wherever possible. Results have been discussed in detail. 2007 American Institute of Physics.
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SIXTH INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION