| Автор | R A Bond |
| Автор | D K Ross |
| Дата выпуска | 1982-04-01 |
| dc.description | In alpha ' Pd-D at low temperatures the deuterons become ordered on the octahedral sites of the Pd lattice due to D-D interactions. As this process does not measurably disrupt the palladium lattice the system provides an excellent approximation to a lattice gas. The Monte Carlo method of predicting the behaviour of the lattice gas model for particular values of the D-D interactions is described and it is shown that for repulsive first nearest-neighbour (V<sub>1</sub>) and second nearest-neighbour (V<sub>2</sub>) interactions with V<sub>2</sub>=0.25 V<sub>1</sub>, the Monte Carlo method gives similar results to those obtained by a cluster variation method calculation. However, the latter method only predicts the transition temperature accurately near stoichiometric compositions. The above choice of interactions also gives a good description of the real system for D concentrations between 64 and 68% and it is suggested how agreement at higher concentrations could be achieved by introducing longer range interactions. A method of estimating the values of V<sub>n</sub> from diffuse neutron scattering above the transition temperature is also proposed. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | The use of Monte Carlo simulations in the study of a real lattice gas and its application to the alpha ' Pd-D system |
| Тип | paper |
| DOI | 10.1088/0305-4608/12/4/003 |
| Print ISSN | 0305-4608 |
| Журнал | Journal of Physics F: Metal Physics |
| Том | 12 |
| Первая страница | 597 |
| Последняя страница | 609 |
| Аффилиация | R A Bond; Dept. of Phys., Univ. of Birmingham, Birmingham, UK |
| Аффилиация | D K Ross; Dept. of Phys., Univ. of Birmingham, Birmingham, UK |
| Выпуск | 4 |
