Structural studies of liquid alkaline-earth metals -A molecular dynamics approach



Título del documento: Structural studies of liquid alkaline-earth metals -A molecular dynamics approach
Revista: Brazilian journal of physics
Base de datos: PERIÓDICA
Número de sistema: 000328603
ISSN: 0103-9733
Autores: 1
2
Instituciones: 1Science College, Gujarat. India
2Sardar Patel University, Department of Physics, Gujarat. India
Año:
Periodo: Jun
Volumen: 40
Número: 2
Paginación: 204-209
País: Brasil
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Experimental
Resumen en inglés In the present research article we have studied various properties like binding energy, the pair distribution function g(r), the structure factor S(q), specific heat at constant volume, and coordination number of alkaline-earth metals (Be, Mg, Ca, Sr, and Ba) near melting point temperature using molecular dynamics (MD) simulation technique with a pseudopotential proposed by us. Good agreement with the experiment is achieved for the binding energy, pair distribution function, and structure factor and these results compare favorably with the results obtained by other such calculations, showing the transferability of the pseudopotential used from solid to liquid environment in the case of alkaline-earth metals
Disciplinas: Física y astronomía
Palabras clave: Física,
Física de materia condensada,
Termodinámica y física estadística,
Dinámica molecular,
Función de distribución par,
Formación de estructura,
Energía de enlace
Keyword: Physics and astronomy,
Condensed matter physics,
Physics,
Thermodynamics and statistical physics,
Molecular dynamics,
Pair distribution function,
Structure formation,
Binding energy
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