Molecular dynamics study of ternary system K + K⁺q + O⁻²q

• Published in: Condensed Matter Physics
• Date: 1999
• Main Authors: Shimkevich, A.L., Shimkevich, I.Yu., Kuzin, V.V.
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 1999
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/120392
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Molecular dynamics study of ternary system K + K⁺q + O⁻²q / A.L. Shimkevich, I.Yu. Shimkevich, V.V. Kuzin // Condensed Matter Physics. — 1999. — Т. 2, № 2(18). — С. 329-337. — Бібліогр.: 6 назв. — англ.

Results of molecular dynamics (MD) simulation of potassium/oxygen melt, K + K⁺q + O⁻²q , at the temperature of 550 K are presented. MD simulation has been performed for oxygen charge −2q = −1, −2 in the frame of NVT ensemble with only a part of potassium atoms being charged. Evolution of ther...