117 citations · 275 across the 9 of their papers we have counts for
9 papers
Phase Transitions in High Purity Zr Under Dynamic Compression
C. W. Greeff, J. Brown, N. Velisavljevic +1
We present results from ramp compression experiments on high-purity Zr that show the , , as well as reverse phase transitions. Simu…
OpenSesame tutorial
Daniel A. Rehn, Carl W. Greeff, Daniel G. Sheppard +2
OpenSesame is a program for generating tabular equations of state (EOS), with capabilities for multiphase EOS construction. In this tutorial, we provide an overview of how to run O…
Multiphase tin equation of state using density functional theory
Daniel A. Rehn, Carl W. Greeff, Leonid Burakovsky +2
We perform density functional theory (DFT) calculations of five solid phases and the liquid phase of tin. The calculations include cold curves of the five solid phases, phonon calc…
Free Energy Perturbation Theory at Low Temperature
C. W. Greeff
The perturbative expansion introduced by Zwanzig [R. W. Zwanzig, J. Chem. Phys. {\bf 22}, 1420 (1954)] expresses the difference in Helmholtz free energy between a system of interes…
Equation of State Model for the Transition in Ce
C. W. Greeff, S. D. Crockett, K. G. Honnell
The element Ce exhibits an isostructural phase transition with a 15\% volume change at room temperature. The phase boundary ends in a critical point at 1.5 GPa and 480 K. We…
Lattice Dynamics and the High Pressure Equation of State of Au
C. W. Greeff, M. J. Graf
Elastic constants and zone-boundary phonon frequencies of gold are calculated by total energy electronic structure methods to twofold compression. A generalized force constant mode…
High-pressure Debye-Waller and Grueneisen parameters of Au and Cu
Matthias J. Graf, Carl W. Greeff, Jonathan C. Boettger
The lattice vibrations are determined in the quasi-harmonic approximation for elemental Au and Cu to twice their normal density by first-principles electronic band-structure calcul…
An analytic model of the shear modulus at all densities and temperatures
L. Burakovsky, C. W. Greeff, D. L. Preston
An analytic model of the shear modulus applicable at temperatures up to melt and at all densities is presented. It is based in part on a relation between the melting temperature an…
First-Principles-Based Thermodynamic Description of Solid Copper Using the Tight-Binding Approach
Sven P. Rudin, M. D. Jones, C. W. Greeff +1
A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes. With the r…