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THE CALCULATION OF HUGONIOTS IN IONIC SOLIDS

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. Green open access

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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 > 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
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/59676
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