TITLE

Opening remarks

AUTHOR(S)
Crasemann, B.
PUB. DATE
February 2000
SOURCE
AIP Conference Proceedings;2000, Vol. 506 Issue 1, p3
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
© 2000 American Institute of Physics.
ACCESSION #
6029493

 

Related Articles

  • Molecular dynamics simulation on a layer-by-layer homoepitaxial growth process of SrTiO[sub 3](001). Kubo, Momoji; Oumi, Yasunori // Journal of Chemical Physics;11/15/1998, Vol. 109 Issue 19, p8601 

    Investigates the effects of substrate temperatures on the homoepitaxial growth process of SrTiO[sub 3](001) surface through molecular dynamics simulations. Techniques used in epitaxial process and atomic structure study; Analysis of self-diffusion coefficient and activation energy of SrO...

  • Short-range order, atomic structure, and dynamics of the amorphous alloy Ni[sub 80]Zr[sub 20]. Nurgayanov, R. R.; Chudinov, V. G.; Lad’yanov, V. I. // Physics of the Solid State;Jun97, Vol. 39 Issue 6, p861 

    The method of molecular dynamics with pair-interaction potentials calculated in terms of pseudopotential theory is used to model the rapid quenching process and to study the atomic structure and lattice dynamics of the alloy Ni[sub 80]Zr[sub 20] in the amorphous state. The total and partial...

  • Fine structure of coherent twin boundaries in metals. Mazilova, T. I.; Mikhailovskij, I. M.; Lygovskaja, E. I. // Low Temperature Physics;Dec2000, Vol. 26 Issue 12 

    The oscillatory features of the atomic relaxation on coherent twin boundary in tungsten are studied by the methods of molecular dynamics. A nonmonotonic character of the variation of the atomic density in the near-boundary region is established. It is shown that the relaxation near twin...

  • Phosphorus: First principle simulation of a liquid–liquid phase transition. Ghiringhelli, Luca M.; Meijer, Evert Jan // Journal of Chemical Physics;5/8/2005, Vol. 122 Issue 18, p184510 

    We report a Car–Parrinello molecular dynamics study of the liquid–liquid phase transition in phosphorus. We employed a gradient corrected density functional (B-LYP) to describe the electronic structure and performed simulations at constant pressure. Upon increasing pressure we...

  • Atomic and electronic structure of mixed Au-Co nanowires: Ab initio molecular dynamics study. Smelova, E.; Tsysar', K.; Bazhanov, D.; Saletsky, A. // JETP Letters;Apr2011, Vol. 93 Issue 3, p129 

    The atomic and electronic structure of uniformly and nonuniformly mixed Au-Co nanowires have been studied using the ab initio molecular dynamics method. The effect of elastic stretching/contraction deformations on the stability and electronic properties of mixed Au-Co nanowires has been studied....

  • Moving discrete breathers in a monoatomic two-dimensional crystal. Kistanov, A.; Murzaev, R.; Dmitriev, S.; Dubinko, V.; Khizhnyakov, V. // JETP Letters;May2014, Vol. 99 Issue 6, p353 

    An ansatz has been proposed for setting the initial conditions in the molecular dynamics study of moving discrete breathers in monoatomic close packed crystals. The applicability of the ansatz has been demonstrated for a two-dimensional crystal with Morse interaction.

  • Effects of interadsorbate interactions on surface resistivity: Oxygen on sulfur-predosed Cu(100). Liu, Chang; Tobin, R. G. // Journal of Chemical Physics;6/28/2008, Vol. 128 Issue 24, p244702 

    Measurements of surface resistivity as a function of coverage for oxygen adsorbed on sulfur-predosed Cu(100) films reveal two types of interactions between sulfur and oxygen: S–O repulsion and short-range suppression of the surface resistivity change induced by oxygen adsorption. The...

  • Effects of Composition on Atomic Structure, Diffusivity, and Viscosity of Liquid Al-Zr Alloys. Wang, William; Shang, Shun; Fang, Hua; Zhang, Hui; Wang, Yi; Mathaudhu, Suveen; Hui, Xi; Liu, Zi-Kui // Metallurgical & Materials Transactions. Part A;Oct2012, Vol. 43 Issue 10, p3471 

    The diffusion coefficients and viscosity of four AlZr ( x = 0.4, 0.5. 0.6, and 0.67) alloys are predicted by ab initio molecular dynamic simulations via the Einstein and Darken equations. It is observed that the addition of Zr to Al reduces the self-diffusion coefficient of Al drastically,...

  • Rate constants from the reaction path Hamiltonian. I. Reactive flux simulations for dynamically correct rates. Peters, Baron; Bell, Alexis T.; Chakraborty, Arup // Journal of Chemical Physics;9/8/2004, Vol. 121 Issue 10, p4453 

    As ab initio electronic structure calculations become more accurate, inherent sources of error in classical transition state theory such as barrier recrossing and tunneling may become major sources of error in calculating rate constants. This paper introduces a general method for diabatically...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics