Sentence examples for cluster interactions from inspiring English sources

This methodology is applied to two binary alloys, SiGe and MgLi, including the temperature dependence in their effective cluster interactions.

We found that the uncertainty in the predicted phase transition temperature increases when including the temperature dependence of the effective cluster interactions.

bWTP for each of the Reduce cluster interactions is calculated at the sample means of the cluster and Reduce variable interaction.

In both cases (E0 and E10), the tests indicated that the cluster interactions contributed significantly to the models (E0 79.449, 3 df; E10 81.6058, 3 df).

New dynamic aspects of the catalysis of methanol oxidation reaction (MOR) have been studied using quantum mechanical calculations applied to the support catalyst cluster interactions and surface diffusivity of adsorbed intermediates.

The ab initio calculated internal energies of ordered compounds, using the full-potential (linearized) augmented plane-wave plus the local orbital method including the magnetic contributions, are used to obtain a set of volume-dependent effective cluster interactions which parametrize the internal energy of FCC-based Fe N alloys.

Next, we develop a systematic procedure for training the cluster interaction model on-the-fly, which involves: (i) obtaining activation barriers for handful local environments using nudged elastic band (NEB) calculations, (ii) identifying the local environment by analyzing the NEB results, and (iii) estimating the cluster interaction model parameters from the activation barrier data.

In this paper, we develop a method for solving the inverse lattice problem, where, given a broad class of potential, we find the ground states for all possible values of the effective cluster interaction energies.

Starting with an interatomic potential description, a mathematical derivation is presented to show that the local environment dependence of the activation barrier can be captured using cluster interaction models.

Model 3 for cluster interaction was not constructed, because there was no significant cluster interaction.

The advantage of our approach is that morbidity cluster and cluster interaction models provide more information.