4 citations · 4 across the 1 of their papers we have counts for
5 papers
DL_POLY 5: Calculation of system properties on the fly for very large systems via massive parallelism
H. L. Devereux, C. Cockrell, A. M. Elena +8
Modelling has become a third distinct line of scientific enquiry, alongside experiments and theory. Molecular dynamics (MD) simulations serve to interpret, predict and guide experi…
Thermal conductivity and thermal diffusivity of molten salts: insights from molecular dynamics simulations and fundamental bounds
C. Cockrell, M. Withington, H. L. Devereux +7
We use extensive molecular dynamics simulations to calculate thermal conductivity and thermal diffusivity in two common molten salts, LiF and KCl. Our analysis includes the total t…
Viscosity bounds in liquids with different structure and bonding types
M. Withington, H. L. Devereux, C. Cockrell +7
Recently, it was realised that liquid viscosity has a lower bound which is nearly constant for all liquids and is governed by fundamental physical constants. This was supported by…
Theory of melting lines
K. Trachenko
Our understanding of the three basic states of matter (solids, liquids and gases) is based on temperature and pressure phase diagrams with three phase transition lines: solid-gas,…
Generally applicable physics-based equation of state for liquids
J. E. Proctor, K. Trachenko
Physics-based first-principles pressure-volume-temperature equations of state (EOS) exist for solids and gases but not for liquids due to the long-standing fundamental problems inv…