In this document we use the nanoPLASTICITY in nanoHUB to reproduce results of the paper "PUQ: a code for non-intrusive uncertainty propagation in computer simulations" to be published in Computer Physics Communications. The paper abstract follows.

We present a software package for the non-intrusive propagation of uncertainties in input parameters though computer simulation codes or mathematical models and associated analysis; we demonstrate its use to drive micromechanical simulations using a phase field approach to dislocation dynamics. The PRISM uncertainty quantification framework (PUQ) offers several methods to sample the distribution of input variables and to obtain surrogate models (or response functions) that relate the uncertain inputs with the quantities of interest (QoIs); the surrogate models are ultimately used to propagate uncertainties. PUQ requires minimal changes in the simulation code, just those required to annotate the QoI(s) for its analysis. Collocation methods include Monte Carlo, Latin Hypercube and Smolyak sparse grids and surrogate models can be obtained in terms of radial basis functions and via generalized polynomial chaos. PUQ uses the method of elementary effects for sensitivity analysis in Smolyak runs. The code is available for download and also available for cloud computing in nanoHUB. PUQ orchestrates runs of the nanoPLASTICITY tool at nanoHUB where users can propagate uncertainties in dislocation dynamics simulations using simply a web browser, without downloading or installing any software.

Martin Hunt, Senior Software Engineering, ITaP Purdue. Marisol Koslowski, Mechanical Engineering at Purdue. Alejandro Strachan, Materials Engineering at Purdue.

NSF's Network for Computational Nanotechnology.

• PRISM Uncertainty Quantification Framework. 
• Role of grain boundary energetics on the maximum strength of nano crystalline Nickel, M Koslowski, DW Lee, L Lei, Journal of the Mechanics and Physics of Solids 59 (7), 1427-1436 (2011). 
• PUQ: a code for non-intrusive uncertainty propagation in computer simulations, to be published in Computer Physics Communications. 

Researchers should cite this work as follows:

• Martin Hunt, Marisol Koslowski, Alejandro Strachan (2015), "Reproducing results from "PUQ: a code for non-intrusive uncertainty propagation in computer simulations"," https://nanohub.org/resources/22119.

  BibTex | EndNote

1. dislocations
2. nanocrystalline deformation
3. phase field method
4. plastic deformation
5. plasticity
6. Uncertainty Propagation
7. uncertainty quantification (UQ)