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Computer simulation of a quadrupolar glass
| Content Provider | Scilit |
|---|---|
| Author | Müser, M. H. |
| Copyright Year | 1996 |
| Description | Journal: Journal of Physics: Condensed Matter A model of solid solutions of has been studied by Monte Carlo techniques over a wide range of temperatures for various concentrations x. The results are discussed in terms of a recently presented discrete-state model for cubic orientational glasses. Comparison is made to experiment. At temperatures smaller than the fcc - Pa3 transition temperature of the pure model system, the following phases were found. For x > 0.9, the Pa3 structure turns out to be stable. At x = 0.9, the Pa3 structure is stable, as is a frozen-in orientational disordered phase, which has a local ferroelastic type of ordering. At x = 0.7, indications of two-step relaxation can be observed, indicating a primary and a secondary relaxation. The local order is ferroelastic but the disorder is no longer frozen in. For smaller concentrations, 0.1 < x < 0.5, neighbouring molecules remain parallel but the relaxation is clearly a one-step process. When translation - rotation coupling is suppressed by keeping the atoms and molecules fixed to their lattice sites, the Pa3 structure remains stable even at concentrations as low as x = 0.5. |
| Related Links | http://iopscience.iop.org/article/10.1088/0953-8984/8/8/004/pdf |
| Ending Page | 925 |
| Page Count | 13 |
| Starting Page | 913 |
| ISSN | 09538984 |
| e-ISSN | 1361648X |
| DOI | 10.1088/0953-8984/8/8/004 |
| Journal | Journal of Physics: Condensed Matter |
| Issue Number | 8 |
| Volume Number | 8 |
| Language | English |
| Publisher | IOP Publishing |
| Publisher Date | 1996-02-19 |
| Access Restriction | Open |
| Subject Keyword | Journal: Journal of Physics: Condensed Matter Atomic, Molecular and Chemical Physics Condensed Matter Physics Computer Simulation Solid Solution Monte Carlo Technique |
| Content Type | Text |
| Resource Type | Article |
| Subject | Condensed Matter Physics Materials Science |