Quick search Find article
Quick search
Find article

Structure of liquid metals by ab initio molecular-dynamics simulations

K Hoshino

Show affiliations


How the study of liquid metals has progressed in the past three decades is summarized briefly from a personal point of view. It is emphasized that, by ab initio molecular-dynamics (MD) simulations, we can now obtain the electronic states as well as the structure of liquid metals at the same time and therefore we can understand the characteristic features of the microscopic atomic structure and bonding states in real space. As examples we show the results of our ab initio MD simulations for liquid phosphorus, liquid tellurium and liquid carbon at high pressures.


PACS

61.25.Mv Liquid metals and alloys

71.22.+i Electronic structure of liquid metals and semiconductors and their alloys

61.20.Ja Computer simulation of liquid structure

62.50.-p High-pressure effects in solids and liquids

Subjects

Soft matter, liquids and polymers

Condensed matter: structural, mechanical & thermal

Dates

Issue 47 (25 November 2009)

Received 6 April 2009, in final form 15 July 2009

Published 5 November 2009



  1. Structure of liquid metals by ab initio molecular-dynamics simulations

    K Hoshino 2009 J. Phys.: Condens. Matter 21 474212

  2. Surface modification of CNT-cathodes by an acid-erosion process

    Yunsong Di et al 2007 Nanotechnology 18 505701

  3. Combustion synthesis of novel Li0.9Y(0.9−xy)Zr0.1O2:Eux3+, Ry3+(R = Ce,Bi) red luminescence nanocrystal and emission-mechanism research

    Zifeng Qiu et al 2007 Nanotechnology 18 495705

  4. Gamma-ray burst afterglow plateaus and gravitational waves

    Alessandra Corsi and Peter Mészáros 2009 Class. Quantum Grav. 26 204016

  5. q-difference equations of KdV type and Chazy-type second-degree difference equations

    Chris M Field et al 2008 J. Phys. A: Math. Theor. 41 332005

  6. Statistical properties of two-particle transmission at an Anderson transition

    Cécile Monthus and Thomas Garel 2009 J. Phys. A: Math. Theor. 42 475007

  7. Structural and electronic properties of ZnO nanotubes from density functional calculations

    Hu Xu et al 2007 Nanotechnology 18 485713

  8. Probing the low-temperature rotational population of H2D+

    Oskar Asvany et al 2009 J. Phys.: Conf. Ser. 192 012010

  9. Non-adiabatic effects in dissociative recombination of molecular ions

    Viatcheslav Kokoouline et al 2009 J. Phys.: Conf. Ser. 192 012017

  10. Path integral methods via the use of the central limit theorem and application

    E G Thrapsaniotis 2008 J. Phys. A: Math. Theor. 41 205202

Related review articles

What's this?
View review articles related to this research to gain an insight into the key trends in this subject area. Related review articles are selected based on PACS/MSC codes, and are no more than three years old.

  1. Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to rheology
  2. Liquid water and ices: understanding the structure and physical properties

View by subject




Export






Please login to access our web services, or create an account if you don't yet have one.

You must have cookies enabled in your web browser to be able to login.

Username
Password

Forgotten your password? Get a new one here.