55 citations · 118 across the 7 of their papers we have counts for
6 papers · 1 filter
Thermal Equation of State of UFe from Experiments and Calculations
Matthew C. Brennan, Joshua D. Coe, Sarah C. Hernandez +5
Actinide-bearing intermetallics display unusual electronic, magnetic, and physical properties which arise from the complex behavior of their 5 electron orbitals. Temperature ($T…
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…
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…
Orbital-free extension to Kohn-Sham density functional theory equation of state calculations: application to silicon dioxide
Travis Sjostrom, Scott Crockett
The liquid regime equation of state of silicon dioxide SiO is calculated via quantum molecular dynamics in the density range 5 to 15 g/cc and with temperatures from 0.5 to 100…
Test of a theoretical equation of state for elemental solids and liquids
Eric D. Chisolm, Scott D. Crockett, Duane C. Wallace
We propose a means for constructing highly accurate equations of state (EOS) for elemental solids and liquids essentially from first principles, based upon a particular decompositi…