𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A modified embedded atom method interatomic potential for the Ti–N system

✍ Scribed by Hanjiang Yu; Fengjiu Sun

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
106 KB
Volume
404
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.

✦ Synopsis

A modified embedded atom method (MEAM) interatomic potential for the Ti-N system has been developed using previous MEAM potentials of Ti and N. The materials parameters, such as the cohesive energy, equilibrium atomic volume, and bulk modulus, were used to determine the MEAM parameters. The MEAM potential was used to calculate the surface energy of TiN. The lattice parameters, the bulk modulus, and the enthalpy of formation of Ti 2 N were also calculated. It was found that the potential gives a good agreement with experimental data or first-principles calculations. The surface energy and the formation energy of one nitrogen vacancy of Ti 2 N were predicted using the potential.

📜 SIMILAR VOLUMES

A modified embedded-atom method interato
A modified embedded-atom method interatomic potential for the Fe–H system
✍ Byeong-Joo Lee; Je-Wook Jang 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 287 KB

A modified embedded-atom method (MEAM) interatomic potential for the Fe-H binary system has been developed using previously developed MEAM potentials of Fe and H. The potential parameters were determined by fitting to experimental data on the dilute heat of solution of hydrogen in body-centered cubi

Modified embedded-atom method interatomi
Modified embedded-atom method interatomic potentials for pure Mn and the Fe–Mn system
✍ Young-Min Kim; Young-Han Shin; Byeong-Joo Lee 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 531 KB

Modified embedded-atom method (MEAM) interatomic potentials for pure Mn and the Fe-Mn binary system have been developed using a previously developed MEAM potential for Fe. The potentials can describe various fundamental physical properties of pure Mn (cohesive energy, structural energy differences,

Development of modified embedded atom po
Development of modified embedded atom potentials for the Cu–Ag system
✍ H. Feraoun; H. Aourag; T. Grosdidier; D. Klein; C. Coddet 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 140 KB

The modified embedded atom method is tested in the atomistic simulations of binary fcc metallic alloys. As an example the alloying behaviour of Cu-Ag is studied using the molecular dynamics (MD) method. The MD algorithms that we use are based on the extended Hamiltonian formalism and the ordinary ex

A semi-empirical interatomic potential f
A semi-empirical interatomic potential for the Cu–Ti binary system
✍ Young-Min Kim; Byeong-Joo Lee 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 102 KB

A semi-empirical atomic potential according to the second nearest-neighbor modified embedded-atom method, has been applied to obtain an interatomic potential for the Cu-Ti system based on the previously developed potentials for pure Cu and Ti. The potential describes thermodynamic properties and all