84 citations · 270 across the 10 of their papers we have counts for
8 papers · 1 filter
Liquid-liquid Phase transitions in silicon
M. W. C. Dharma-wardana, Dennis D. Klug, Richard C. Remsing
We use computationally simple neutral pseudo-atom (`average atom') one-center density functional theory (DFT) and standard N-center DFT-Molecular Dynamics simulations to elucidate…
Isochoric, isobaric and ultrafast conductivities of aluminum, lithium and carbon in the warm dense matter (WDM) regime
M. W. C. Dharma-wardana, D. D. Klug, L. Harbour +1
We study the conductivities of (i) the equilibrium isochoric state (), (ii) the equilibrium isobaric state (), and also the (iii) non-equilibrium ultraf…
Equation of state, phonons, and lattice stability of ultra-fast warm dense matter
Louis Harbour, Chandre M. Dharma-wardana, Dennis D. Klug +1
Using the two-temperature model for ultrafast matter (UFM), we compare the equation of state, pair-distribution functions , and phonons using the neutral pseudoatom (NPA) mod…
Ground state structure of polymeric carbon monoxide with high energy density
Kang Xia, Jian Sun, Chris J. Pickard +2
Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the…
Two-temperature pair potentials and phonon spectra for simple metals in the warm dense matter regime
Louis Harbour, M. W. Chandre Dharma-wardana, Dennis D. Klug +1
We develop ion-ion pair potentials for Al, Na and K for densities and temperatures relevant to the warm-dense-matter (WDM) regime. Furthermore, we emphasize non-equilibrium states…
Stable all nitrogen metallic salt at terapascal pressures
Jian Sun, Miguel Martinez-Canales, Dennis D. Klug +2
The phase diagram and equation of state of dense nitrogen are of interest in understanding the fundamental physics and chemistry under extreme conditions, including planetary proce…