Based on linear spin wave approximation and Hellmann-Feynman theorem, we introduce a method to calculate critical magnetic field where the ground state transforms into a fully polarized ferromagnetism as magnetic field is applied. To confirm our method, we apply it to two models and compare results with numerical data.

The core philosophy of Material Genome Initiative is transition of way of new material design from traditional "try-and-error" approach to in-silico material design approach where intensive computing and material informatics are employed. It aims to effectively speed up discovery, development, production and deployment of new material two times faster as it is now. It means a culture shift of new material discovery:simulation and prediction first, followed by experiment. An integrated computational material platform that can facilitate high-throughput quantum mechanical simulations and manage simulation lifecycle data is therefore vital. This paper depicts a high throughput computational material platform and software framework, namely, MatCloud, which effectively integrates individual quantum mechanical simulation tasks, data extraction and data storage into an automatic flow in an end-to-end manner without direct human control. Especially, core data curation activities are also integrated into this flow rather than happening at post-simulation stage separately. MatCloud is demonstrated in an example of disorder binary alloy design to be valid and effective.

A Langevin equation of fluctuating velocity of fluid ‘seen’ by particle is simplified in Minier's model.Autocorrelation of turbulence fluctuating velocity is obtained,which has non-isotropic property.Corresponding PDF model of particle is obtained and a simplified form is used to predict turbulent particle dispersion in grid-generating turbulence flow.PDF model is solved analytically and solutions are compared with experimental results of Wells and Stock.

This paper gives an approach to expanding the nonconservation viscous vector equations in non-orthogonal curvilinear coordinates. In the expansion expression the number of terms included is greatly decreased, so the method can be easily used in engineering calculation. Numerical results of 2-dimension calculations in plane blade grid and in pressure-amplied pipe indicate the new approach of expansion very useful in practice.