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1 | 1 | Finite temperatures |
2 | 2 | =================== |
| 3 | + |
| 4 | + |
| 5 | +Statistics |
| 6 | +---------- |
| 7 | +In this exercise we will investigate how statistics affect simulated measurables. |
| 8 | + |
| 9 | +A single spin with an uniaxial anisotropy has a bi-stable, Ising like, magnetic state. At finite temperatures the stability of the magnetic state is not finite |
| 10 | +but follows an exponential (Arrhenius) relaxation behaviour. As seen in the lecture, ensemble averaging can be crucial for the analysis of such systems. |
| 11 | + |
| 12 | + * Investigate the amount of statistics that is needed to say something relevant about the life time of the magnetic state of the system. |
| 13 | + |
| 14 | + * Does the need of statistics change with system parameters? (temperature, anisotropy, external field) |
| 15 | + |
| 16 | + * Extra: Can you fit the relaxation behaviour to an `Arrhenius function <https://en.wikipedia.org/wiki/Arrhenius_equation>`_? |
| 17 | + |
| 18 | +You can do a similar analysis for a finite 1d-chain by either modifying the single spin example, or |
| 19 | +starting from the `SimpleSystems/HeisChain <https://github.com/UppASD/UppASD/tree/master/examples/SimpleSystems/HeisChain>`_ example. |
| 20 | + |
| 21 | + * Is there a difference by performing ensemble averaging compared to just increasing the system size? |
| 22 | + |
| 23 | + * Does the exchange interaction magnitude affect the stability of the spin chains? |
| 24 | + |
| 25 | +An accessible article for those interested in spin chains and statistics can be found here: `A. Vindigni Inorganica Chimica Acta, 361 3731 (2008) <https://www.sciencedirect.com/science/article/abs/pii/S0020169308001588>`_. |
| 26 | + |
| 27 | + |
| 28 | + |
| 29 | +Thermalization |
| 30 | +-------------- |
| 31 | +In this exercise the thermalization rates in spin simulations will be investigated. |
| 32 | + |
| 33 | +As mentioned in the lecture, thermalising the system before performing measurements is crucial for ensuring relevant results. |
| 34 | +Here we will investigate this for a simple cubic model system. |
| 35 | + |
| 36 | +The initial ``inpsd.dat`` file looks as follows |
| 37 | + |
| 38 | +.. literalinclude:: SimpleCubic/inpsd.dat |
| 39 | + |
| 40 | +and the almost trivial ``posfile`` and ``momfile`` are written as |
| 41 | + |
| 42 | +.. literalinclude:: SimpleCubic/posfile |
| 43 | +.. literalinclude:: SimpleCubic/momfile |
| 44 | + |
| 45 | +The ``jfile``, that will be changed during the exercise initially can look like |
| 46 | + |
| 47 | +.. literalinclude:: SimpleCubic/jfile |
| 48 | + |
| 49 | +i.e. including nearest and next-nearest neighbours on the cubic lattice. Notice that since ``sym 1`` is given in ``inpsd.dat``, the ``jfile`` can be kept to a minimum of two lines. |
| 50 | + |
| 51 | + * Starting with the inputs as defined above, vary the simulation method and damping (where applicable) to investigate the thermalization rate of the system. |
| 52 | + |
| 53 | + * Is the thermalization faster when going from low to high temperatures or vice versa? Anything particular happening around Tc? |
| 54 | + |
| 55 | + * Change the sign of the next-nearest neighbour and redo the study. Is the magnetization a good measurable for determining the thermalization now? |
| 56 | + |
| 57 | +Phase diagrams |
| 58 | +-------------- |
| 59 | + |
| 60 | + |
| 61 | +Minimization |
| 62 | +------------ |
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