Free energy calculations of Cu-Sn interfaces

Ramon J Ravelo; Michael I Baskes

Free energy calculations of Cu-Sn interfaces

Ramon J Ravelo
, Michael I Baskes

Research output: Contribution to journal › Conference article

12 Scopus citations

Abstract

Excess free energies of solid Cu - Solid Sn and Solid Cu - liquid Sn have been calculated employing an adiabatic switching formalism in a Molecular Dynamics (MD) framework. The atomic interactions are described by modified embedded atom method (MEAM) potentials which includes the angular dependence of the electron density to describe bond bending forces necessary to model covalent materials.

Original language	English
Pages (from-to)	287-293
Number of pages	7
Journal	Materials Research Society Symposium - Proceedings
Volume	398
State	Published - Jan 1 1996
Externally published	Yes
Event	1995 MRS Fall Meeting - Duration: Jan 1 1996 → …

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title = "Free energy calculations of Cu-Sn interfaces",

abstract = "Excess free energies of solid Cu - Solid Sn and Solid Cu - liquid Sn have been calculated employing an adiabatic switching formalism in a Molecular Dynamics (MD) framework. The atomic interactions are described by modified embedded atom method (MEAM) potentials which includes the angular dependence of the electron density to describe bond bending forces necessary to model covalent materials.",

author = "Ravelo, \{Ramon J\} and Baskes, \{Michael I\}",

year = "1996",

month = jan,

day = "1",

language = "English",

volume = "398",

pages = "287--293",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

note = "1995 MRS Fall Meeting ; Conference date: 01-01-1996",

}

TY - JOUR

T1 - Free energy calculations of Cu-Sn interfaces

AU - Ravelo, Ramon J

AU - Baskes, Michael I

PY - 1996/1/1

Y1 - 1996/1/1

N2 - Excess free energies of solid Cu - Solid Sn and Solid Cu - liquid Sn have been calculated employing an adiabatic switching formalism in a Molecular Dynamics (MD) framework. The atomic interactions are described by modified embedded atom method (MEAM) potentials which includes the angular dependence of the electron density to describe bond bending forces necessary to model covalent materials.

AB - Excess free energies of solid Cu - Solid Sn and Solid Cu - liquid Sn have been calculated employing an adiabatic switching formalism in a Molecular Dynamics (MD) framework. The atomic interactions are described by modified embedded atom method (MEAM) potentials which includes the angular dependence of the electron density to describe bond bending forces necessary to model covalent materials.

UR - https://www.scopus.com/pages/publications/0029727293

M3 - Conference article

SN - 0272-9172

VL - 398

SP - 287

EP - 293

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

T2 - 1995 MRS Fall Meeting

Y2 - 1 January 1996

ER -

Free energy calculations of Cu-Sn interfaces

Abstract

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