Reply to “Comment on ‘Phase diagram of MgO from density-functional theory and molecular- dynamics simulations’”

Alejandro Strachan; Tahir Çağın; William A. Goddard

doi:10.1103/PhysRevB.63.096102

Reply to “Comment on ‘Phase diagram of MgO from density-functional theory and molecular- dynamics simulations’”

Alejandro Strachan
, Tahir Çağın
, William A. Goddard

Beckman Institute

Résultats de recherche: Contribution à un journal › Lettre › Revue par des pairs

15 Citations (Scopus)

Résumé

In answer to a Comment by Belonoshko [Phys. Rev. B, 63, 096101 (2001)], we show that the B1-liquid melting curve of MgO obtained using two-phase simulations is in good agreement with the published one obtained using the Clausius-Clapeyron equation in conjunction with separate single phase calculations of liquid and solid.

langue originale	Anglais
journal	Physical Review B - Condensed Matter and Materials Physics
Volume	63
Numéro de publication	9
Les DOIs	https://doi.org/10.1103/PhysRevB.63.096102
état	Publié - 5 févr. 2001
Modification externe	Oui

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10.1103/PhysRevB.63.096102

Contient cette citation

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title = "Reply to “Comment on {\textquoteleft}Phase diagram of MgO from density-functional theory and molecular- dynamics simulations{\textquoteright}”",

abstract = "In answer to a Comment by Belonoshko [Phys. Rev. B, 63, 096101 (2001)], we show that the B1-liquid melting curve of MgO obtained using two-phase simulations is in good agreement with the published one obtained using the Clausius-Clapeyron equation in conjunction with separate single phase calculations of liquid and solid.",

author = "Alejandro Strachan and Tahir {\c C}ağın and Goddard, \{William A.\}",

year = "2001",

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doi = "10.1103/PhysRevB.63.096102",

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volume = "63",

journal = "Physical Review B - Condensed Matter and Materials Physics",

issn = "1098-0121",

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TY - JOUR

T1 - Reply to “Comment on ‘Phase diagram of MgO from density-functional theory and molecular- dynamics simulations’”

AU - Strachan, Alejandro

AU - Çağın, Tahir

AU - Goddard, William A.

PY - 2001/2/5

Y1 - 2001/2/5

N2 - In answer to a Comment by Belonoshko [Phys. Rev. B, 63, 096101 (2001)], we show that the B1-liquid melting curve of MgO obtained using two-phase simulations is in good agreement with the published one obtained using the Clausius-Clapeyron equation in conjunction with separate single phase calculations of liquid and solid.

AB - In answer to a Comment by Belonoshko [Phys. Rev. B, 63, 096101 (2001)], we show that the B1-liquid melting curve of MgO obtained using two-phase simulations is in good agreement with the published one obtained using the Clausius-Clapeyron equation in conjunction with separate single phase calculations of liquid and solid.

U2 - 10.1103/PhysRevB.63.096102

DO - 10.1103/PhysRevB.63.096102

M3 - Letter

AN - SCOPUS:0034908045

SN - 1098-0121

VL - 63

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 9

ER -

Reply to “Comment on ‘Phase diagram of MgO from density-functional theory and molecular- dynamics simulations’”

Résumé

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