Improving the Functional Control of Aged Ferroelectrics using Insights from Atomistic Modelling

We provide a fundamental insight into the microscopic mechanisms of the ageing processes. Using large scale molecular dynamics simulations of the prototypical ferroelectric material PbTiO3, we demonstrate that the experimentally observed ageing phenomena can be reproduced from intrinsic interactions of defect-dipoles related to dopant-vacancy associates, even in the absence of extrinsic effects. We show that variation of the dopant concentration modifies the material's hysteretic response. We identify a universal method to reduce loss and tune the electromechanical properties of inexpensive ceramics for efficient technologies.Comment: 6 pages, 3 figure

GEVALT: An integrated software tool for genotype analysis

BACKGROUND: Genotype information generated by individual and international efforts carries the promise of revolutionizing disease studies and the association of phenotypes with alleles and haplotypes. Given the enormous amounts of public genotype data, tools for analyzing, interpreting and visualizing these data sets are of critical importance to researchers. In past works we have developed algorithms for genotypes phasing and tag SNP selection, which were shown to be quick and accurate. Both algorithms were available until now only as batch executables. RESULTS: Here we present GEVALT (GEnotype Visualization and ALgorithmic Tool), a software package designed to simplify and expedite the process of genotype analysis, by providing a common interface to several tasks relating to such analysis. GEVALT combines the strong visual abilities of Haploview with our quick and powerful algorithms for genotypes phasing (GERBIL), tag SNP selection (STAMPA) and permutation testing for evaluating significance of association. All of the above are provided in a visually appealing and interactive interface. CONCLUSION: GEVALT is an integrated viewer that uses state of the art phasing and tag SNP selection algorithms. By streamlining the application of GERBIL and STAMPA together with strong visualization for assessment of the results, GEVALT makes the algorithms accessible to the broad community of researchers in genetics