Effect of Nosé-Hoover thermostat on structural transformations in ternary Ti-Al-V nanoparticles

An important criterion for verifying atomistic simulation results is not only the appropriate selection of the interatomic interaction potential and its parameters, but also the choice of thermostating methodology. This paper attempts to qualitatively assess the impact of the thermostat selection w...

Ausführliche Beschreibung

Bibliografische Detailangaben

Hauptverfasser:	P.M. Ershov, A.Yu.. Kolosov, V.S. Myasnichenko, D.R. Zorin, A.D. Belozersky, D.N. Sokolov, N.Yu.. Sdobnyakov
Format:	Artigo
Sprache:	Russo
Veröffentlicht:	Tver State University 2025-12-01
Schriftenreihe:	Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
Schlagworte:	molecular dynamics method tight-binding potential ternary ti-al-v nanoparticles structure formation thermostating crystallization
Online-Zugang:	https://physchemaspects.ru/2025/doi-10-26456-pcascnn-2025-17-399/?lang=en
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