Search Results for "hard"

http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.

XMD is a program for performing molecular dynamic simulations on metals and some ceramics materials at the atomic scale. It models atomic energies and dynamics using user defined pair potentialsl, EAM potentials and some hard coded potentials.

OS X FOSS portable applications are packaged so you can carry around on any portable device, USB thumb drive, iPod, portable hard drive, memory card, other portable device (or also on your internal hard disk), taking your preferences with you.

... * a Leica file reader, * Steindhard bond orientational order calculation * a VTK file writer 1. Leocmach, M. & Tanaka, H. A novel particle tracking method with individual particle size measurement and its application to ordering in glassy hard sphere colloids. Soft Matter 9, 1447–1457 (2013). https://dx.doi.org/10.1039/C2SM27107A (http://arxiv.org/pdf/1301.7237.pdf)

Keywords: -simultaneously fit several SAXS and SANS data sets with polydisperse (Schultz-Zimm or Gaussian distribution f(R)) spherical core-shell-shell nanoparticles -analytical expressions are used for from factor F(Q) and its integral over f(R), no numerical integration required -absolute units -Mathematica is required via console (MathKernel) -Mathematica's local and global optimizers (simulated annealing, differential evolution, Nelder-Mead, ...) can be used -range for fit parameters and further constraints between fit parameters are possible -Monodisperse(!) hard sphere structure factor can be used, too -long computation times (depending on problem size and amount of constraints) from hours to a few days are possible -non-parallelized code

...Size fractionating for stacks (platelets with diameters below a cut-off diameter remain as individual platelets all others assemble in stacks) can be included. Considers only hard interactions and assumes spherical exclusion volumes.