HARDING, JH;
STONEHAM, AM;
(1984)
THE CALCULATION OF HUGONIOTS IN IONIC SOLIDS.
J PHYS C SOLID STATE
, 17
(7)
1179 - 1189.
10.1088/0022-3719/17/7/012.
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Abstract
The authors demonstrate the quantitative prediction of Hugoniots for an ionic crystal (NaCl) using the shell model with the best available potentials. The calculations show that these shock wave data can be predicted quite accurately by relatively simple use of established computer codes. The Hugoniot results, together with static phase-change data, also provide a very severe test of interatomic potentials. The two sets of empirical potentials ((i) Catlow, Diller and Norgett (1977), (ii) Sangster and Atwood (1978)) both perform much better than electron gas potentials. The same approach can be used to test potentials and to make predictions for the behaviour of solids for extreme conditions of temperature and pressure.
| Type: | Article |
|---|---|
| Title: | THE CALCULATION OF HUGONIOTS IN IONIC SOLIDS |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1088/0022-3719/17/7/012 |
| Publisher version: | http://dx.doi.org/10.1088/0022-3719/17/7/012 |
| Language: | English |
| Additional information: | Text made available to UCL Discovery by kind permission of IOP Publishing, 2012 |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/59676 |
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