See Grid/BatchComsol for more information.įor interactive use, run one of these quick commands to launch COMSOL with the appropriate license: You can also run a non-interactive instance of COMSOL by invoking “batch mode” when starting the program.

Simply ssh to engineering-grid.bu.edu and run: $ qlogin For remote access to to the default version of COMSOL, you can access it through the Eng-Grid - see the Grid Instructions. Available ModulesĬOMSOL is available on all machines in all of the public Linux labs in the College of Engineering. It is important to note that running batch jobs on Eng-Grid uses a separate license pool of 3 batch licenses. We can only run 3 simultaneous instances of COMSOL under the Research license. This license is also available remotely on Eng-Grid (see On Linux below). Research License (FNL)įor research, BU offers a floating network license which allows us to install COMSOL on any BU owned machine. We can run 90 simultaneous instances of COMSOL under the Class Kit License. Instructions for Citrix can be found here: Citrix. This license is also available remotely on the Eng-Grid (see On Linux below), as well as on Citrix. The calculations predict that the formation of oxygen interstitials becomes increasingly difficult as higher temperatures and reducing conditions are approached.COMSOL License Options Class Kit License (CKL)įor lesson preparation, classroom use, homework, and activities for ordinary courses, you should use the Class Kit License.

In contrast, the predicted values for charged complexes are lower than the measured values. The predicted equilibrium properties and defect formation energies for neutral defect complexes match trends in the experimental literature quite well. The thermodynamic calculations enable the effects of system temperature and partial pressure of oxygen on defect formation energy to be determined. In particular, the density functional theory calculations are performed at the level of the spin polarized, generalized gradient approximation and includes the Hubbard U term as a result they predict the correct anti-ferromagnetic insulating ground state of uranium oxide. The computational approach integrates high accuracy ab initio electronic-structure calculations and thermodynamic analysis supported by experimental data. The stability range of intrinsic point defects in uranium dioxide is determined as a function of temperature, oxygen partial pressure, and non-stoichiometry.

Comsol default windows