✦ LIBER ✦

Dynamic structure of molten CuI: Ab initio molecular-dynamics simulations

✍ Scribed by Fuyuki Shimojo; Shuji Munejiri; Masaru Aniya; Kozo Hoshino

Book ID: 116670513
Publisher: Elsevier Science
Year: 2007
Tongue: English
Weight: 1004 KB
Volume: 353
Category: Article
ISSN: 0022-3093
DOI: 10.1016/j.jnoncrysol.2007.05.105

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structure of fluid Rb: Ab initio molecul

Structure of fluid Rb: Ab initio molecular-dynamics simulations

✍ Fuyuki Shimojo; Masaru Aniya; Kozo Hoshino; Y. Zempo 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 199 KB

Structure of liquid metals by ab initio

Structure of liquid metals by ab initio molecular-dynamics simulations

✍ Hoshino, K 📂 Article 📅 2009 🏛 Institute of Physics 🌐 English ⚖ 744 KB

Ab initio molecular dynamics simulation

Ab initio molecular dynamics simulation on reaction

✍ Jun-ichi Yamamoto 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 406 KB

Ab initio molecular dynamics simulations

Ab initio molecular dynamics simulations of molten Al_{1−x}Si_{x} alloys

✍ Khoo, K.; Chan, T.-L.; Kim, M.; Chelikowsky, James 📂 Article 📅 2011 🏛 The American Physical Society 🌐 English ⚖ 603 KB

Ab initio molecular dynamics simulations

Ab initio molecular dynamics simulations of organometallic reactivity

✍ Filippo De Angelis; Simona Fantacci; Antonio Sgamellotti 📂 Article 📅 2006 🏛 Elsevier Science 🌐 English ⚖ 724 KB

The energetics and reaction mechanism of prototypical organometallic reactions have been investigated by combining static and dynamic density functional calculations, based on the Car-Parrinello method. Such an approach allows us to dynamically sample the potential energy surface of the reactive sys

Ab initio molecular-dynamics simulation

Ab initio molecular-dynamics simulation of liquid alloys

✍ X.F. Zhu; L.F. Chen 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 462 KB

Ab initio molecular-dynamics simulations have been used to investigate the structure and dynamics properties of the liquid As x Se 1Àx at four compositions x ¼ 0:2, 0.4, 0.5, and 0.6. We present results for the static structure factors, frequency spectra, and the electronic density of states. The re