Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- California Institute of TechnologyUS2.6k papers
- Centre National de la Recherche ScientifiqueFR2k papers
- Massachusetts Institute of TechnologyUS1.9k papers
- University of FloridaUS1.8k papers
- Carnegie Mellon UniversityUS1.7k papers
- Princeton UniversityUS1.7k papers
- University of RochesterUS1.7k papers
- Purdue University West LafayetteUS1.6k papers
- Johns Hopkins UniversityUS1.6k papers
- University of Maryland, College ParkUS1.6k papers
- The Ohio State UniversityUS1.6k papers
- University of California, Santa BarbaraUS1.6k papers
10 papers · 2 filters
Ab initio and finite-temperature molecular dynamics studies of lattice resistance in tantalum
D. E. Segall, Alejandro Strachan, Sohrab Ismail-Beigi +2
This manuscript explores the apparent discrepancy between experimental data and theoretical calculations of the lattice resistance of bcc tantalum. We present the first results for…
A Linear Programming Algorithm to Test for Jamming in Hard-Sphere Packings
Aleksandar Donev, Salvatore Torquato, Frank H. Stillinger +1
Jamming in hard-particle packings has been the subject of considerable interest in recent years. In a paper by Torquato and Stillinger [J. Phys. Chem. B, 105 (2001)], a classificat…
New ab initio approach for high pressure systems with application to a new high-pressure phase for boron: perturbative momentum-space potentials
D. E. Segall, T. A. Arias
Through the use of perturbation theory, in this work we develop a method which allows for a substantial reduction in the size of the plane-wave basis used in density-functional cal…
Dynamics of Large-Scale Plastic Deformation and the Necking Instability in Amorphous Solids
L. O. Eastgate, J. S. Langer, L. Pechenik
We use the shear transformation zone (STZ) theory of dynamic plasticity to study the necking instability in a two-dimensional strip of amorphous solid. Our Eulerian description of…
Temperature-dependent "phason" elasticity in a random tiling quasicrystal
M. Mihalkovic, C. L. Henley
Both ``phason'' elastic constants have been measured from Monte Carlo simulations of a random-tiling icosahedral quasicrystal model with a Hamiltonian. The low-temperature limit ap…
Accurate hyperfine couplings for C59N
Gabor Csanyi, T. A. Arias
We identify the shortcomings of existing ab initio quantum chemistry calculations for the hyperfine couplings in the recently characterized azafullerene, C59N. Standard gaussian ba…
Robust ab initio calculation of condensed matter: transparent convergence through semicardinal multiresolution analysis
I. P. Daykov, T. D. Engeness, T. A. Arias
We present the first wavelet-based all-electron density-functional calculations to include gradient corrections and the first in a solid. Direct comparison shows this approach to b…
Photo-response of the conductivity in functionalized pentacene compounds
T. Tokumoto, J. S. Brooks, R. Clinite +4
We report the first investigation of the photo-response of the conductivity of a new class of organic semiconductors based on functionalized pentacene. These materials form high qu…
Structure of the icosahedral Ti-Zr-Ni quasicrystal
R. G. Hennig, K. F. Kelton, A. E. Carlsson +1
The atomic structure of the icosahedral Ti-Zr-Ni quasicrystal is determined by invoking similarities to periodic crystalline phases, diffraction data and the results from ab initio…
Low-Energy Linear Structures in Dense Oxygen: Implications for the -phase
J. B. Neaton, N. W. Ashcroft
Using density functional theory implemented within the generalized gradient approximation, a new non-magnetic insulating ground state of solid oxygen is proposed and found to be en…