FEAR (Force Enhanced Atomic Refinement) is our method for building atomistic models of amorphous materials that agree with experimental diffraction data while keeping the interatomic forces physically realistic. The key paper is A. Pandey, P. Biswas and D. A. Drabold, Inversion of diffraction data for amorphous materials, Scientific Reports 6, 33731 (2016).
- A. Pandey, P. Biswas and D. A. Drabold, Inversion of diffraction data for amorphous materials, Scientific Reports, 6 33731 (2016).
- A. Pandey, P. Biswas and D. A. Drabold, Force enhanced atomic refinement: application to amorphous silica and amorphous silicon, Phys. Rev. B 92 155205 (2015).
- A. Pandey, P. Biswas and D. A. Drabold, Realistic inversion of diffraction data for an amorphous solid: the case of silicon, Phys. Rev B 94 235208 (2016).
- B. Bhattarai, A. Pandey and D. A. Drabold, Evolution of amorphous carbon across densities, an inferential study, Carbon 131 168 (2018).
- D. Igram, B. Bhattarai, P. Biswas and D. A. Drabold, Large and realistic models of amorphous silicon, J. Non-Cryst. Sol 492 27 (2018).
- B. Bhattarai, R. Thapa and D. A. Drabold, Ab initio inversion of structure and the lattice dynamics of a metallic glass: the case of Pd40Ni40P20, Modeling and Simulation in Materials Science and Engineering 27 075002 (2019).
- R. Thapa, B. Bhattarai, K. Subedi and D. A. Drabold, Force Enhanced Atomic Refinement modeling of the metallic glass Cu46Zr46Al8, “Form and Function of Disorder”, Physica Status Solidi b (Jan. 2021, https://doi.org/10.1002/pssb.202000415).
- R. Thapa and D. A. Drabold, Ab initio simulations of amorphous materials in Atomistic Computer Simulations of Glasses, Methodologies and Applications, Ed. by J. Du and A. Cormack, Wiley (2022).
- M. Cliffe, M. T. Dove, D. A. Drabold and A. L. Goodwin, Structure determination of disordered materials from diffraction data, Phys. Rev. Lett. 104 125501 (2010). Viewpoint in Physics by Simon Billinge here.
- P. Biswas, D. N. Tafen, R. Atta-Fynn and D. A. Drabold, Inclusion of experimental information in first principles modeling of materials, J. Phys. Cond. Matter 16 S5173 (2004).
- P. Biswas, D. Tafen and D. A. Drabold, Experimentally Constrained Molecular Relaxation: The Case of GeSe2, Phys Rev B 71 054204 (2005).
- P. Biswas, R. Atta-Fynn and D. A. Drabold, Experimentally constrained molecular relaxation: the case of a-Si, Phys. Rev. B 76 125210 (2007).
- D. A. Drabold, P. Biswas, D. Tafen and R. Atta-Fynn, Recent developments in computer modeling of amorphous materials (in Nanocrystalline Materials for optoelectronics, M. Popescu, Ed, INOE, Bucharest, 2004).
