activity
19992023
most citedDevelopment of an interatomic potential for phosphorus impurities in iron

625 citations · 1.9k across the 61 of their papers we have counts for

collaborators
Showing 2017Show all

5 papers · 1 filter

cond-mat.mtrl-sci2017

Stability of Metallic Hydrogen at Ambient Conditions

Graeme J Ackland

The possibility of metallic hydrogen was first mooted by Wigner and Huntington in 1935. Here it is show that the calculations from that paper are in remarkably good agreement with…

cond-mat.mtrl-sci2017★ 25 cited

Stacking Characteristics of Close Packed Materials

Christian H. Loach, Graeme J. Ackland

It is shown that the enthalpy of any close packed structure for a given element can be characterised as a linear expansion in a set of continuous variables which describe the…

cond-mat.mtrl-sci2017★ 6 cited

Origin of the abnormal diffusion of transition metal in rutile

Linggang Zhu, Graeme J. Ackland, Qing-Miao Hu +2

Diffusion of dopants in rutile is the fundamental process that determines the performance of many devices in which rutile is used. The diffusion behavior is known to be highly samp…

cond-mat.mtrl-sci2017★ 37 cited

The role of van der Waals and exchange interactions in high-pressure solid hydrogen

Sam Azadi, Graeme J. Ackland

We investigate the van der Waals interactions in solid molecular hydrogen structures. We calculate enthalpy and the Gibbs free energy to obtain zero and finite temperature phase di…

cond-mat.dis-nn2017★ 25 cited

A simple thermodynamic model for the hydrogen phase diagram

Ioan B Magdău, Miriam Marques, Balint Borgulya +1

We describe a classical thermodynamic model that reproduces the main features of the solid hydrogen phase diagram. In particular, we show how the general structure types that are f…