Showing 2000 · cond-mat.mtrl-sciShow all

8 papers · 2 filters

cond-mat.mtrl-sci2000★ 174 cited

On the constitution of sodium at higher densities

J. B. Neaton, N. W. Ashcroft

Using density functional theory the atomic and electronic structure of sodium are predicted to depart substantially from those expected of simple metals for 2.48 (…

cond-mat.mtrl-sci2000★ 6 cited

New Physics of the Partial Dislocation in Silicon Revealed through {\em Ab Initio} Calculation

Gabor Csanyi, Torkel D. Engeness, Sohrab Ismail-Beigi +1

Based on {\em ab initio} calculation, we propose a new structure for the fundamental excitation of the reconstructed 30 partial dislocation in silicon. This soliton has a r…

cond-mat.mtrl-sci2000

Structure determinations for random-tiling quasicrystals

C. L. Henley, V. Elser, M. Mihalkovic

How, in principle, could one solve the atomic structure of a quasicrystal, modeled as a random tiling decorated by atoms, and what techniques are available to do it? One path is to…

cond-mat.mtrl-sci2000★ 48 cited

Elasticity of nanometer-sized objects

D. E. Segall, Sohrab Ismail-Beigi, T. A. Arias

We initiate the development of a theory of the elasticity of nanoscale objects based upon new physical concepts which remain properly defined on the nanoscale. This theory provides…

cond-mat.mtrl-sci2000★ 12 cited

Effective potentials for 6-coordinated Boron: structural geometry approach

W. -J. Zhu, C. L. Henley

We have built a database of ab-initio total energies for elemental Boron in over 60 hypothetical crystal structures of varying coordination , such that every atom is equivalent.…

cond-mat.mtrl-sci2000★ 55 cited

Dislocation Kinks in Copper: Widths, Barriers, Effective Masses, and Quantum Tunneling

Tejs Vegge, James P. Sethna, Siew-Ann Cheong +3

We calculate the widths, migration barriers, effective masses, and quantum tunneling rates of kinks and jogs in extended screw dislocations in copper, using an effective medium the…

cond-mat.mtrl-sci2000★ 9 cited

Phonon Scattering and Internal Friction in Dielectric and Metallic Films at Low Temperatures

P. D. Vu, Xiao Liu, R. O. Pohl

We have measured the heat conduction between 0.05 K and 1.0 K of high purity silicon wafers carrying on their polished faces a variety of thin dielectric films and polycrystalline…

cond-mat.mtrl-sci2000

Dislocation Mobility in Two-dimensional Lennard-Jones Material

N. Bailey, J. Sethna, C. Myers

In seeking to understand at a microscopic level the response of dislocations to stress we have undertaken to study as completely as possible the simplest case: a single dislocation…