𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Development of modified embedded atom potentials for the Cu–Ag system

✍ Scribed by H. Feraoun; H. Aourag; T. Grosdidier; D. Klein; C. Coddet

Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
140 KB
Volume
30
Category
Article
ISSN
0749-6036

No coin nor oath required. For personal study only.

✦ Synopsis

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 experimental conditions are simulated using the constant-pressure, constant temperature (NPT) (MD) method. The enthalpy of mixing values of the random Ag-Cu binary alloys are obtained as functions of concentration after 20 000 steps.

📜 SIMILAR VOLUMES

A new form of the Sutton–Chen potential
A new form of the Sutton–Chen potential for the Cu–Ag alloys
✍ H. Feraoun; C. Esling; L. Dembinski; T. Grosdidier; C. Coddet; H. Aourag 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 263 KB

The analytic construction of a many-body potential inspired from the Sutton-Chen parametrization is presented for copper and silver. A new approach is used to model the cross interaction for the Cu-Ag alloys. The parameters are fitted to first principles calculations based on the full potential line

Ruthenium, a Potential Chemical Modifier
Ruthenium, a Potential Chemical Modifier for the Determination of Lead by Graphite Furnace Atomic Absorption Spectrometry
✍ Kangmei Cai; Curtis W. McDonald 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 97 KB

Ruthenium shows promise for use as a chemical modifier for the determination of ultratrace quantities of lead in solution when compared with the popular and widely used palladium. There is experimental evidence that ruthenium reacts with lead in the graphite tube to form the intermetallic compound P

Iridium and Rhodium as Permanent Chemica
Iridium and Rhodium as Permanent Chemical Modifiers for the Determination of Ag, As, Bi, Cd, and Sb by Electrothermal Atomic Absorption Spectrometry
✍ José Bento Borba da Silva; Maria Bertı́lia; Oss Giacomelli; Ivan Gonç 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 61 KB

Performance of graphite platforms coated with Ir, Rh, and a mixture of both, as permanent modifiers for Ag, As, Bi, Cd, and Sb, was evaluated. The coating process is very simple: a solution containing Ir, Rh, or a mixture of both is pipetted on the platform inserted in a graphite tube, and this is s