FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared alternative intermetallic hydrides. Employing the OpenCalphad software, thermodynamics of (FeTi)1−xHx (0 ≤x≤ 1) system were assessed a key basis for modeling hydrogenation alloys. New thermodynamic data acquire...

A FETI-like Domain decomposition dedicated to Contact Dynamics is considered here, especially concerning“corner grain” treatment and its influence on the numerical simulation. Moreover, parallel implementation of Non-Smooth Contact Domain Decomposition (NSCDD) using MPI library is studied as regards of load balancing and computing performances, leading to motivate time homogenization techniques.

The non-Abelian nature of QCD suggests that particles that have a gluon constituent, such as glueballs or hybrids, should exist. Experiments WA76, WA91 and WA102 have performed a dedicated search for these states in central production using the CERN Omega Spectrometer. Several non-qq candidates have been observed. This paper presents a study of central meson production as a function of the diff...

High-temperature annealing coupled with above bandgap UV illumination is an emerging approach to manipulate defect chemistries and resultant properties of electroceramics. To explore defect-processing-property relationships in these materials, advanced multiphysics multiscale model has been developed, which involves (a) high-fidelity first principles simulations energies, (b) grand canonical th...

We present an approach to hybrid MPI/OpenMP parallelization in FETIDP methods using OpenMP with PETSc in the finite element assembly and using the shared memory parallel direct solver Pardiso in the FETI-DP solution phase. Our approach thus uses OpenMP parallelization on subdomains and MPI in between subdomains. We investigate the efficiency of this approach for a benchmark problem from two dim...

This report summarizes the results of the scalability improvements of the algorithms used in Total FETI (TFETI). A performance evaluation of two new techniques is presented in this report: (1) a novel pipelined implementation of CG method in PETSc and (2) a MAGMA LU solver running on following many-cores accelerators: GPU Nvidia Tesla K20m and Intel MIC Xeon Phi 5110P.