FEMSIM+HRMC: Simulation of and Structural Refinement using Fluctuation Electron Microscopy for Amorphous Materials

Published: 6 Jan 2017 | Version 1 | DOI: 10.17632/8dt6jvtjpf.1
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Description of this data

FEMSIM, a Fortran code, is used to simulate the fluctuation electron microscopy signal, the variance, V(k), from a model atomic structure. FEMSIM has been incorporated into a hybrid-reverse Monte Carlo code that combines an embedded atom or Finnis–Sinclair potential with the deviation between simulated and experimental V(k) data to refine an atomic model with structure constrained by both the potential and experimental data. The resulting models have experimentally-derived medium-range order.

Experiment data files

peer reviewed

This data is associated with the following peer reviewed publication:

FEMSIM + HRMC: Simulation of and structural refinement using fluctuation electron microscopy for amorphous materials

Published in: Computer Physics Communications

Latest version

  • Version 1

    2017-01-06

    Published: 2017-01-06

    DOI: 10.17632/8dt6jvtjpf.1

    Cite this dataset

    Maldonis, Jason; Hwang, Jinwoo; Voyles, Paul M. (2017), “FEMSIM+HRMC: Simulation of and Structural Refinement using Fluctuation Electron Microscopy for Amorphous Materials”, Mendeley Data, v1 http://dx.doi.org/10.17632/8dt6jvtjpf.1

Categories

Natural Sciences

Licence

MIT Learn more

The files associated with this dataset are licensed under a MIT License licence.

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