The ZENO software tool computes material, solution, and suspension properties for a specified particle shape or molecular structure using path-integral and Monte Carlo methods. These properties include: capacitance, electric polarizability tensor, intrinsic conductivity, volume, gyration tensor, hydrodynamic radius, intrinsic viscosity, friction coefficient, diffusion coefficient, sedimentation coefficient, and related quantities.

Derek Juba and Walid Keyrouz are computer scientists in the Software and Systems Division at NIST. Their interests include scientific computing and high performance computing. Debra Audus is a chemical engineer in the Materials Science and Engineering Division at NIST. Her interests include the use of simulations, theory, and data to probe polymeric and colloidal systems. Michael Mascagni is with the Departments of Computer Science, Mathematics, and Scientific Computing at Florida State University and has a faculty appointment in the Applied and Computational Mathematics Division at NIST. His interests are in computational science, Monte Carlo methods, random number generation, and the application of these in biology, chemistry, and materials science. Jack Douglas is a Fellow in the Materials Science and Engineering Division at NIST. His interests include the physics of condensed matter; polymeric and glass-forming materials in particular.

Researchers should cite this work as follows:

• Juba D, Audus DJ, Mascagni M, Douglas JF, Keyrouz W (2017) "ZENO: Software for calculating hydrodynamic, electrical, and shape properties of polymer and particle suspensions." J Res Natl Inst Stan 122 (2017 Mar 9). https://doi.org/10.6028/jres.122.020

   

• Derek Juba, Debra Audus, Walid Keyrouz (2017), "ZENO," https://nanohub.org/resources/zeno. (DOI: 10.4231/D3JW86P2H).

  BibTex | EndNote

1. computational materials science
2. material properties
3. materials science
4. Monte Carlo
5. nanoelectronics
6. nanoparticles
7. polymers